N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C26H18ClFN4O — CID 71180977

IUPACN-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4F)c3c2)c1
InChIInChI=1S/C26H18ClFN4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyPWOZOFOGZJHGDN-UHFFFAOYSA-N
MW456.91 g/mol
LogP6.90
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180977) has the molecular formula C26H18ClFN4O and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180977
Molecular FormulaC26H18ClFN4O
Molecular Weight456.91 g/mol
Exact Mass456.12
IUPAC NameN-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4F)c3c2)c1
InChIInChI=1S/C26H18ClFN4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyPWOZOFOGZJHGDN-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
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
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 19595108
6-[(2-Methoxy-4-phenyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472848
6-(3-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 3234753
N1-(7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10236578
5-[[4-(Dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
CID 14570339
m-Anisyl-[2-(3-pyridyl)quinazolin-4-yl]amine
CID 16196718

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180977) is N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cc(Cl)ccc4F)c3c2)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is PWOZOFOGZJHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O/c1-33-20-6-2-4-16(12-20)17-7-10-23-21(13-17)26(31-24-14-19(27)8-9-22(24)28)32-25(30-23)18-5-3-11-29-15-18/h2-15H,1H3,(H,30,31,32).
What are the key properties of N-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(5-chloro-2-fluorophenyl)-6-(3-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-(5-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).