2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

C24H20FN5O — CID 10093148

IUPAC2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCOCCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C24H20FN5O/c1-31-12-10-27-19-5-6-21-20(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/h2-9,11,13-15,27H,10,12H2,1H3
InChIKeyBCCMGKRAAVRPHB-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.83
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 10093148) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID10093148
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCOCCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C24H20FN5O/c1-31-12-10-27-19-5-6-21-20(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/h2-9,11,13-15,27H,10,12H2,1H3
InChIKeyBCCMGKRAAVRPHB-UHFFFAOYSA-N
XLogP4.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 10093148) is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is COCCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is BCCMGKRAAVRPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-31-12-10-27-19-5-6-21-20(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/h2-9,11,13-15,27H,10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine has a molecular weight of 413.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 10093148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).