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

C22H16FN5 — CID 10044582

IUPAC2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C22H16FN5/c1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h2-13,24H,1H3
InChIKeyFGGNZHRREQQVAM-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.82
Rot. Bonds3

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

2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 10044582) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID10044582
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1
InChIInChI=1S/C22H16FN5/c1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h2-13,24H,1H3
InChIKeyFGGNZHRREQQVAM-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-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 10044582) is 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is CNc1ccc2nc(-c3ccccc3F)nc(-n3ccc4cnccc43)c2c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is FGGNZHRREQQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-24-15-6-7-19-17(12-15)22(28-11-9-14-13-25-10-8-20(14)28)27-21(26-19)16-4-2-3-5-18(16)23/h2-13,24H,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
2-(2-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-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 10044582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).