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

C22H16FN5 — CID 10361738

IUPAC2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C22H16FN5/c1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14/h2-13,24H,1H3
InChIKeyZOULNMLPSJHJHF-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.82
Rot. Bonds3

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

2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 10361738) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID10361738
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C22H16FN5/c1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14/h2-13,24H,1H3
InChIKeyZOULNMLPSJHJHF-UHFFFAOYSA-N
XLogP4.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 10361738) is 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is CNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is ZOULNMLPSJHJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14/h2-13,24H,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine has a molecular weight of 369.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 10361738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).