4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine

C130H249BrCl2N32O — CID 161452622

About 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine

4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 161452622) has the molecular formula C130H249BrCl2N32O and a molecular weight of 2427.45 g/mol. Its IUPAC name is 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine
• PubChem CID: 161452622
• Molecular Formula: C130H249BrCl2N32O
• Molecular Weight: 2427.45 g/mol
• Exact Mass: 2423.90
• IUPAC Name: 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine
• SMILES: CC(C)CCCN.CCN(CC)CCCC(C)N.CCN(CC)CCCC(C)Nc1nc(-c2cn(C)c3c(Cl)cccc23)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(Br)cccc12.CCN(CC)CCCN.CN(C)CCCCN.CN(C)CCCN.CN(C)CCN.CN1CCN(CCCN)CC1.CNCCCN(C)C.CNCCCNC.NCCCN1CCCCC1.NCCCN1CCOCC1
• InChI: InChI=1S/C32H35BrClN5.C27H34ClN5.C9H22N2.C8H19N3.C8H18N2.C7H16N2O.C7H18N2.2C6H16N2.C6H15N.2C5H14N2.C4H12N2/c1-4-38(5-2)19-11-12-22(3)35-31-25-16-9-17-27(33)29(25)36-32(37-31)26-21-39(20-23-13-7-6-8-14-23)30-24(26)15-10-18-28(30)34;1-6-33(7-2)16-10-12-19(4)29-26-21-14-8-11-18(3)24(21)30-27(31-26)22-17-32(5)25-20(22)13-9-15-23(25)28;1-4-11(5-2)8-6-7-9(3)10;1-10-5-7-11(8-6-10)4-2-3-9;9-5-4-8-10-6-2-1-3-7-10;8-2-1-3-9-4-6-10-7-5-9;1-3-9(4-2)7-5-6-8;1-7-5-4-6-8(2)3;1-8(2)6-4-3-5-7;1-6(2)4-3-5-7;1-7(2)5-3-4-6;1-6-4-3-5-7-2;1-6(2)4-3-5/h6-10,13-18,21-22H,4-5,11-12,19-20H2,1-3H3,(H,35,36,37);8-9,11,13-15,17,19H,6-7,10,12,16H2,1-5H3,(H,29,30,31);9H,4-8,10H2,1-3H3;2-9H2,1H3;1-9H2;1-8H2;3-8H2,1-2H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;6H,3-5,7H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H2,1-2H3
• InChIKey: WASRIWYBXGPRFM-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 403.86 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 60
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.45
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine?

The IUPAC name of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine (CID 161452622) is 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine.

What is the SMILES notation for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine?

The canonical SMILES for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine is CC(C)CCCN.CCN(CC)CCCC(C)N.CCN(CC)CCCC(C)Nc1nc(-c2cn(C)c3c(Cl)cccc23)nc2c(C)cccc12.CCN(CC)CCCC(C)Nc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(Br)cccc12.CCN(CC)CCCN.CN(C)CCCCN.CN(C)CCCN.CN(C)CCN.CN1CCN(CCCN)CC1.CNCCCN(C)C.CNCCCNC.NCCCN1CCCCC1.NCCCN1CCOCC1.

What is the InChIKey of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine?

The InChIKey is WASRIWYBXGPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrClN5.C27H34ClN5.C9H22N2.C8H19N3.C8H18N2.C7H16N2O.C7H18N2.2C6H16N2.C6H15N.2C5H14N2.C4H12N2/c1-4-38(5-2)19-11-12-22(3)35-31-25-16-9-17-27(33)29(25)36-32(37-31)26-21-39(20-23-13-7-6-8-14-23)30-24(26)15-10-18-28(30)34;1-6-33(7-2)16-10-12-19(4)29-26-21-14-8-11-18(3)24(21)30-27(31-26)22-17-32(5)25-20(22)13-9-15-23(25)28;1-4-11(5-2)8-6-7-9(3)10;1-10-5-7-11(8-6-10)4-2-3-9;9-5-4-8-10-6-2-1-3-7-10;8-2-1-3-9-4-6-10-7-5-9;1-3-9(4-2)7-5-6-8;1-7-5-4-6-8(2)3;1-8(2)6-4-3-5-7;1-6(2)4-3-5-7;1-7(2)5-3-4-6;1-6-4-3-5-7-2;1-6(2)4-3-5/h6-10,13-18,21-22H,4-5,11-12,19-20H2,1-3H3,(H,35,36,37);8-9,11,13-15,17,19H,6-7,10,12,16H2,1-5H3,(H,29,30,31);9H,4-8,10H2,1-3H3;2-9H2,1H3;1-9H2;1-8H2;3-8H2,1-2H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;6H,3-5,7H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-5H2,1-2H3.

What are the key properties of 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine?

4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 2427.45 g/mol, XLogP of 18.56, 60 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(1-benzyl-7-chloroindol-3-yl)-8-bromoquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;4-N-[2-(7-chloro-1-methylindol-3-yl)-8-methylquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;1-N,1-N-diethylpentane-1,4-diamine;N',N'-diethylpropane-1,3-diamine;N',N'-dimethylbutane-1,4-diamine;N',N'-dimethylethane-1,2-diamine;N,N'-dimethylpropane-1,3-diamine;N',N'-dimethylpropane-1,3-diamine;4-methylpentan-1-amine;3-(4-methylpiperazin-1-yl)propan-1-amine;3-morpholin-4-ylpropan-1-amine;3-piperidin-1-ylpropan-1-amine;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 161452622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).