6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine

C24H15ClFN5 — CID 90095062

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncnc(Nc4cccnc4)c3c2)cc1Cl
InChIInChI=1S/C24H15ClFN5/c25-20-12-16(5-7-21(20)26)23-18(4-2-10-28-23)15-6-8-22-19(11-15)24(30-14-29-22)31-17-3-1-9-27-13-17/h1-14H,(H,29,30,31)
InChIKeyGFEDXXIHSBZBEQ-UHFFFAOYSA-N
MW427.87 g/mol
LogP6.29
Rot. Bonds4

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine (PubChem CID 90095062) has the molecular formula C24H15ClFN5 and a molecular weight of 427.87 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine
PubChem CID90095062
Molecular FormulaC24H15ClFN5
Molecular Weight427.87 g/mol
Exact Mass427.10
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncnc(Nc4cccnc4)c3c2)cc1Cl
InChIInChI=1S/C24H15ClFN5/c25-20-12-16(5-7-21(20)26)23-18(4-2-10-28-23)15-6-8-22-19(11-15)24(30-14-29-22)31-17-3-1-9-27-13-17/h1-14H,(H,29,30,31)
InChIKeyGFEDXXIHSBZBEQ-UHFFFAOYSA-N
XLogP6.29
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.87
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Seletalisib
CID 56928390
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Aminoquinazoline, 18
CID 24863671
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
6-(3-Chlorophenyl)quinazolin-4-Amine
CID 72705109
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine (CID 90095062) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine is Fc1ccc(-c2ncccc2-c2ccc3ncnc(Nc4cccnc4)c3c2)cc1Cl.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine?
The InChIKey is GFEDXXIHSBZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5/c25-20-12-16(5-7-21(20)26)23-18(4-2-10-28-23)15-6-8-22-19(11-15)24(30-14-29-22)31-17-3-1-9-27-13-17/h1-14H,(H,29,30,31).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine has a molecular weight of 427.87 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 90095062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).