3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane

C123H155Cl2FN28O14 — CID 157251804

About 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane

3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane (PubChem CID 157251804) has the molecular formula C123H155Cl2FN28O14 and a molecular weight of 2339.68 g/mol. Its IUPAC name is 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane.

Molecular Properties

• Compound Name: 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane
• PubChem CID: 157251804
• Molecular Formula: C123H155Cl2FN28O14
• Molecular Weight: 2339.68 g/mol
• Exact Mass: 2337.16
• IUPAC Name: 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane
• SMILES: C.C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(CC)CC.CCN(CC)CCN(C)c1cc(OC)c(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)cc1N.CCN(CC)CCN(C)c1cc(OC)c(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)cc1[N+](=O)[O-].CCN(CC)CCNC.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CCOC3)n1.O=C(Cl)CCCl
• InChI: InChI=1S/C32H39N7O3.C29H35N7O4.C29H37N7O2.C22H18FN5O4.C7H18N2.C3H4Cl2O.CH4/c1-6-30(40)34-24-19-25(29(41-5)20-27(24)37(4)15-16-38(7-2)8-3)36-32-33-14-13-23(35-32)31-22-11-9-10-12-26(22)39-17-18-42-21-28(31)39;1-5-34(6-2)14-13-33(3)24-18-27(39-4)22(17-25(24)36(37)38)32-29-30-12-11-21(31-29)28-20-9-7-8-10-23(20)35-15-16-40-19-26(28)35;1-5-35(6-2)14-13-34(3)25-18-27(37-4)23(17-21(25)30)33-29-31-12-11-22(32-29)28-20-9-7-8-10-24(20)36-15-16-38-19-26(28)36;1-31-20-10-14(23)18(28(29)30)11-16(20)26-22-24-7-6-15(25-22)21-13-4-2-3-5-17(13)27-8-9-32-12-19(21)27;1-4-9(5-2)7-6-8-3;4-2-1-3(5)6;/h6,9-14,19-20H,1,7-8,15-18,21H2,2-5H3,(H,34,40)(H,33,35,36);7-12,17-18H,5-6,13-16,19H2,1-4H3,(H,30,31,32);7-12,17-18H,5-6,13-16,19,30H2,1-4H3,(H,31,32,33);2-7,10-11H,8-9,12H2,1H3,(H,24,25,26);8H,4-7H2,1-3H3;1-2H2;1H4
• InChIKey: AWKVJCFPPTVHCU-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 437.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 45
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.68
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane?

The IUPAC name of 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane (CID 157251804) is 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane.

What is the SMILES notation for 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane?

The canonical SMILES for 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane is C.C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)c(OC)cc1N(C)CCN(CC)CC.CCN(CC)CCN(C)c1cc(OC)c(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)cc1N.CCN(CC)CCN(C)c1cc(OC)c(Nc2nccc(-c3c4n(c5ccccc35)CCOC4)n2)cc1[N+](=O)[O-].CCN(CC)CCNC.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CCOC3)n1.O=C(Cl)CCCl.

What is the InChIKey of 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane?

The InChIKey is AWKVJCFPPTVHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O3.C29H35N7O4.C29H37N7O2.C22H18FN5O4.C7H18N2.C3H4Cl2O.CH4/c1-6-30(40)34-24-19-25(29(41-5)20-27(24)37(4)15-16-38(7-2)8-3)36-32-33-14-13-23(35-32)31-22-11-9-10-12-26(22)39-17-18-42-21-28(31)39;1-5-34(6-2)14-13-33(3)24-18-27(39-4)22(17-25(24)36(37)38)32-29-30-12-11-21(31-29)28-20-9-7-8-10-23(20)35-15-16-40-19-26(28)35;1-5-35(6-2)14-13-34(3)25-18-27(37-4)23(17-21(25)30)33-29-31-12-11-22(32-29)28-20-9-7-8-10-24(20)36-15-16-38-19-26(28)36;1-31-20-10-14(23)18(28(29)30)11-16(20)26-22-24-7-6-15(25-22)21-13-4-2-3-5-17(13)27-8-9-32-12-19(21)27;1-4-9(5-2)7-6-8-3;4-2-1-3(5)6;/h6,9-14,19-20H,1,7-8,15-18,21H2,2-5H3,(H,34,40)(H,33,35,36);7-12,17-18H,5-6,13-16,19H2,1-4H3,(H,30,31,32);7-12,17-18H,5-6,13-16,19,30H2,1-4H3,(H,31,32,33);2-7,10-11H,8-9,12H2,1H3,(H,24,25,26);8H,4-7H2,1-3H3;1-2H2;1H4.

What are the key properties of 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane?

3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane has a molecular weight of 2339.68 g/mol, XLogP of 22.08, 45 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropropanoyl chloride;1-N-[2-(diethylamino)ethyl]-4-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(diethylamino)ethyl]-1-N-[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(diethylamino)ethyl-methylamino]-5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N',N'-diethyl-N-methylethane-1,2-diamine;4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;methane is sourced from PubChem (CID 157251804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).