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

C24H20FN5O — CID 10251159

IUPAC2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCOCCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C24H20FN5O/c1-31-13-11-27-17-6-7-21-19(14-17)24(30-12-9-16-15-26-10-8-22(16)30)29-23(28-21)18-4-2-3-5-20(18)25/h2-10,12,14-15,27H,11,13H2,1H3
InChIKeyPVFDULPUVNEZGV-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.83
Rot. Bonds6

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

2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 10251159) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID10251159
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCOCCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C24H20FN5O/c1-31-13-11-27-17-6-7-21-19(14-17)24(30-12-9-16-15-26-10-8-22(16)30)29-23(28-21)18-4-2-3-5-20(18)25/h2-10,12,14-15,27H,11,13H2,1H3
InChIKeyPVFDULPUVNEZGV-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-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 10251159) is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is COCCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is PVFDULPUVNEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-31-13-11-27-17-6-7-21-19(14-17)24(30-12-9-16-15-26-10-8-22(16)30)29-23(28-21)18-4-2-3-5-20(18)25/h2-10,12,14-15,27H,11,13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
2-(2-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-(2-fluorophenyl)-N-(2-methoxyethyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 10251159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).