2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine

C118H95F5N24O3 — CID 158793916

About 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine

2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine (PubChem CID 158793916) has the molecular formula C118H95F5N24O3 and a molecular weight of 1992.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine
• PubChem CID: 158793916
• Molecular Formula: C118H95F5N24O3
• Molecular Weight: 1992.21 g/mol
• Exact Mass: 1990.79
• IUPAC Name: 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine
• SMILES: CCC(C)CNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.CNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.COCCNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.COCCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.COc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1
• InChI: InChI=1S/C26H24FN5.2C24H20FN5O.C22H16FN5.C22H15FN4O/c1-3-17(2)15-29-19-8-9-23-21(14-19)26(32-13-11-18-16-28-12-10-24(18)32)31-25(30-23)20-6-4-5-7-22(20)27;1-31-12-10-27-19-5-6-21-20(14-19)24(30-11-8-17-15-26-9-7-22(17)30)29-23(28-21)16-3-2-4-18(25)13-16;1-31-13-11-27-17-6-7-19-21(14-17)28-23(18-4-2-3-5-20(18)25)29-24(19)30-12-9-16-15-26-10-8-22(16)30;1-24-15-6-7-17-19(12-15)26-21(16-4-2-3-5-18(16)23)27-22(17)28-11-9-14-13-25-10-8-20(14)28;1-28-15-6-7-19-17(12-15)22(27-11-9-14-13-24-10-8-20(14)27)26-21(25-19)16-4-2-3-5-18(16)23/h4-14,16-17,29H,3,15H2,1-2H3;2-9,11,13-15,27H,10,12H2,1H3;2-10,12,14-15,27H,11,13H2,1H3;2-13,24H,1H3;2-13H,1H3
• InChIKey: ISPXSLCFODESLQ-UHFFFAOYSA-N
• XLogP: 25.50
• TPSA: 293.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.21
LogP ≤ 5	25.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine?

The IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine (CID 158793916) is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine.

What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine?

The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine is CCC(C)CNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.CNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.COCCNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.COCCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.COc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.

What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine?

The InChIKey is ISPXSLCFODESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5.2C24H20FN5O.C22H16FN5.C22H15FN4O/c1-3-17(2)15-29-19-8-9-23-21(14-19)26(32-13-11-18-16-28-12-10-24(18)32)31-25(30-23)20-6-4-5-7-22(20)27;1-31-12-10-27-19-5-6-21-20(14-19)24(30-11-8-17-15-26-9-7-22(17)30)29-23(28-21)16-3-2-4-18(25)13-16;1-31-13-11-27-17-6-7-19-21(14-17)28-23(18-4-2-3-5-20(18)25)29-24(19)30-12-9-16-15-26-10-8-22(16)30;1-24-15-6-7-17-19(12-15)26-21(16-4-2-3-5-18(16)23)27-22(17)28-11-9-14-13-25-10-8-20(14)28;1-28-15-6-7-19-17(12-15)22(27-11-9-14-13-24-10-8-20(14)27)26-21(25-19)16-4-2-3-5-18(16)23/h4-14,16-17,29H,3,15H2,1-2H3;2-9,11,13-15,27H,10,12H2,1H3;2-10,12,14-15,27H,11,13H2,1H3;2-13,24H,1H3;2-13H,1H3.

What are the key properties of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine?

2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine has a molecular weight of 1992.21 g/mol, XLogP of 25.50, 24 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-6-methoxy-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-(2-methylbutyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine is sourced from PubChem (CID 158793916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).