tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one

C75H72Cl6N14O10S — CID 158815168

About tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one

tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one (PubChem CID 158815168) has the molecular formula C75H72Cl6N14O10S and a molecular weight of 1574.27 g/mol. Its IUPAC name is tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one.

Molecular Properties

• Compound Name: tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
• PubChem CID: 158815168
• Molecular Formula: C75H72Cl6N14O10S
• Molecular Weight: 1574.27 g/mol
• Exact Mass: 1570.34
• IUPAC Name: tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(N)ccc21.CC(C)(C)OC(=O)N1CCCc2cc(Nc3ncc4c(n3)OCN(c3c(Cl)cccc3Cl)C4=O)ccc21.CSc1ncc2c(n1)OCN(c1c(Cl)cccc1Cl)C2=O.O=C1c2cnc(Nc3ccc4c(c3)CCCC4)nc2OCN1c1c(Cl)cccc1Cl
• InChI: InChI=1S/C26H25Cl2N5O4.C22H18Cl2N4O2.C14H20N2O2.C13H9Cl2N3O2S/c1-26(2,3)37-25(35)32-11-5-6-15-12-16(9-10-20(15)32)30-24-29-13-17-22(31-24)36-14-33(23(17)34)21-18(27)7-4-8-19(21)28;23-17-6-3-7-18(24)19(17)28-12-30-20-16(21(28)29)11-25-22(27-20)26-15-9-8-13-4-1-2-5-14(13)10-15;1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16;1-21-13-16-5-7-11(17-13)20-6-18(12(7)19)10-8(14)3-2-4-9(10)15/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H,29,30,31);3,6-11H,1-2,4-5,12H2,(H,25,26,27);6-7,9H,4-5,8,15H2,1-3H3;2-5H,6H2,1H3
• InChIKey: IVEGJDKADQNEJK-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 275.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.27
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?

The IUPAC name of tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one (CID 158815168) is tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one.

What is the SMILES notation for tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?

The canonical SMILES for tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one is CC(C)(C)OC(=O)N1CCCc2cc(N)ccc21.CC(C)(C)OC(=O)N1CCCc2cc(Nc3ncc4c(n3)OCN(c3c(Cl)cccc3Cl)C4=O)ccc21.CSc1ncc2c(n1)OCN(c1c(Cl)cccc1Cl)C2=O.O=C1c2cnc(Nc3ccc4c(c3)CCCC4)nc2OCN1c1c(Cl)cccc1Cl.

What is the InChIKey of tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?

The InChIKey is IVEGJDKADQNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O4.C22H18Cl2N4O2.C14H20N2O2.C13H9Cl2N3O2S/c1-26(2,3)37-25(35)32-11-5-6-15-12-16(9-10-20(15)32)30-24-29-13-17-22(31-24)36-14-33(23(17)34)21-18(27)7-4-8-19(21)28;23-17-6-3-7-18(24)19(17)28-12-30-20-16(21(28)29)11-25-22(27-20)26-15-9-8-13-4-1-2-5-14(13)10-15;1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16;1-21-13-16-5-7-11(17-13)20-6-18(12(7)19)10-8(14)3-2-4-9(10)15/h4,7-10,12-13H,5-6,11,14H2,1-3H3,(H,29,30,31);3,6-11H,1-2,4-5,12H2,(H,25,26,27);6-7,9H,4-5,8,15H2,1-3H3;2-5H,6H2,1H3.

What are the key properties of tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one?

tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one has a molecular weight of 1574.27 g/mol, XLogP of 18.07, 8 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate;tert-butyl 6-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]oxazin-7-yl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate;3-(2,6-dichlorophenyl)-7-methylsulfanyl-2H-pyrimido[5,4-e][1,3]oxazin-4-one;3-(2,6-dichlorophenyl)-7-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one is sourced from PubChem (CID 158815168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).