N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C26H18ClFN4O — CID 71180548

IUPACN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C26H18ClFN4O/c1-33-20-8-4-16(5-9-20)17-6-11-24-21(13-17)26(30-19-7-10-23(28)22(27)14-19)32-25(31-24)18-3-2-12-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyHYLKRAPILKQDKH-UHFFFAOYSA-N
MW456.91 g/mol
LogP6.90
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180548) has the molecular formula C26H18ClFN4O and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180548
Molecular FormulaC26H18ClFN4O
Molecular Weight456.91 g/mol
Exact Mass456.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C26H18ClFN4O/c1-33-20-8-4-16(5-9-20)17-6-11-24-21(13-17)26(30-19-7-10-23(28)22(27)14-19)32-25(31-24)18-3-2-12-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyHYLKRAPILKQDKH-UHFFFAOYSA-N
XLogP6.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.91
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Epertinib
CID 46701811
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
(S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(isopropyl)amino)propanamide
CID 44410949
5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}quinolin-6-yl]pyridin-2-amine
CID 52936722
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 19595108
(2S)-2-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-propan-2-ylamino]propanamide
CID 44564335
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490527
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3234753
7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10270557
(R)-2-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methylamino)propanamide
CID 11516978

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180548) is N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1ccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccc(F)c(Cl)c4)c3c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HYLKRAPILKQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O/c1-33-20-8-4-16(5-9-20)17-6-11-24-21(13-17)26(30-19-7-10-23(28)22(27)14-19)32-25(31-24)18-3-2-12-29-15-18/h2-15H,1H3,(H,30,31,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 456.91 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).