[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine

C112H102ClN29O3 — CID 167549465

About [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine

[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine (PubChem CID 167549465) has the molecular formula C112H102ClN29O3 and a molecular weight of 1937.70 g/mol. Its IUPAC name is [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine.

Molecular Properties

• Compound Name: [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine
• PubChem CID: 167549465
• Molecular Formula: C112H102ClN29O3
• Molecular Weight: 1937.70 g/mol
• Exact Mass: 1935.84
• IUPAC Name: [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine
• SMILES: CC(=O)Nc1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)cc1.Cc1nc(N)c2c(ccc3c2ccn3Cc2cc(N)ccc2CO)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1.[C-]#[N+]c1ccc(-n2ccc3c4c(N)nc(C)nc4ccc32)cc1
• InChI: InChI=1S/C20H19N5O.2C19H19N5O.C18H15ClN4.C18H13N5.C18H17N5/c1-12-22-17-7-8-18-16(19(17)20(21)23-12)9-10-25(18)11-14-3-5-15(6-4-14)24-13(2)26;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-13-8-14(20)3-2-12(13)10-25;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12;1-11-21-15-7-8-16-14(17(15)18(19)22-11)9-10-23(16)13-5-3-12(20-2)4-6-13;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12/h3-10H,11H2,1-2H3,(H,24,26)(H2,21,22,23);2*2-8,25H,9-10,20H2,1H3,(H2,21,22,23);2-9H,10H2,1H3,(H2,20,21,22);3-10H,1H3,(H2,19,21,22);2-9H,10,19H2,1H3,(H2,20,21,22)
• InChIKey: CFKPXVNGBIIVGE-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 492.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.70
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine?

The IUPAC name of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine (CID 167549465) is [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine.

What is the SMILES notation for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine?

The canonical SMILES for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine is CC(=O)Nc1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)cc1.Cc1nc(N)c2c(ccc3c2ccn3Cc2cc(N)ccc2CO)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1.[C-]#[N+]c1ccc(-n2ccc3c4c(N)nc(C)nc4ccc32)cc1.

What is the InChIKey of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine?

The InChIKey is CFKPXVNGBIIVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.2C19H19N5O.C18H15ClN4.C18H13N5.C18H17N5/c1-12-22-17-7-8-18-16(19(17)20(21)23-12)9-10-25(18)11-14-3-5-15(6-4-14)24-13(2)26;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-13-8-14(20)3-2-12(13)10-25;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12;1-11-21-15-7-8-16-14(17(15)18(19)22-11)9-10-23(16)13-5-3-12(20-2)4-6-13;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12/h3-10H,11H2,1-2H3,(H,24,26)(H2,21,22,23);2*2-8,25H,9-10,20H2,1H3,(H2,21,22,23);2-9H,10H2,1H3,(H2,20,21,22);3-10H,1H3,(H2,19,21,22);2-9H,10,19H2,1H3,(H2,20,21,22).

What are the key properties of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine?

[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine has a molecular weight of 1937.70 g/mol, XLogP of 19.98, 14 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]acetamide;7-[(4-aminophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 167549465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).