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

C26H18ClFN4O — CID 71180945

IUPACN-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4F)c3c2)c1
InChIInChI=1S/C26H18ClFN4O/c1-33-19-7-2-5-16(13-19)17-10-11-22-20(14-17)26(31-23-9-3-8-21(27)24(23)28)32-25(30-22)18-6-4-12-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyAUODUGNDHUHONN-UHFFFAOYSA-N
MW456.91 g/mol
LogP6.90
Rot. Bonds5

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

N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180945) has the molecular formula C26H18ClFN4O and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180945
Molecular FormulaC26H18ClFN4O
Molecular Weight456.91 g/mol
Exact Mass456.12
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4F)c3c2)c1
InChIInChI=1S/C26H18ClFN4O/c1-33-19-7-2-5-16(13-19)17-10-11-22-20(14-17)26(31-23-9-3-8-21(27)24(23)28)32-25(30-22)18-6-4-12-29-15-18/h2-15H,1H3,(H,30,31,32)
InChIKeyAUODUGNDHUHONN-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180945) is N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4F)c3c2)c1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AUODUGNDHUHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O/c1-33-19-7-2-5-16(13-19)17-10-11-22-20(14-17)26(31-23-9-3-8-21(27)24(23)28)32-25(30-22)18-6-4-12-29-15-18/h2-15H,1H3,(H,30,31,32).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-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-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).