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

C26H19ClN4O — CID 71180957

IUPACN-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C26H19ClN4O/c1-32-22-9-2-5-17(13-22)18-10-11-24-23(14-18)26(29-21-8-3-7-20(27)15-21)31-25(30-24)19-6-4-12-28-16-19/h2-16H,1H3,(H,29,30,31)
InChIKeyDFWMJONTDFSLHE-UHFFFAOYSA-N
MW438.92 g/mol
LogP6.76
Rot. Bonds5

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

N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180957) has the molecular formula C26H19ClN4O and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180957
Molecular FormulaC26H19ClN4O
Molecular Weight438.92 g/mol
Exact Mass438.12
IUPAC NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C26H19ClN4O/c1-32-22-9-2-5-17(13-22)18-10-11-24-23(14-18)26(29-21-8-3-7-20(27)15-21)31-25(30-24)19-6-4-12-28-16-19/h2-16H,1H3,(H,29,30,31)
InChIKeyDFWMJONTDFSLHE-UHFFFAOYSA-N
XLogP6.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71180957) is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4cccc(Cl)c4)c3c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is DFWMJONTDFSLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O/c1-32-22-9-2-5-17(13-22)18-10-11-24-23(14-18)26(29-21-8-3-7-20(27)15-21)31-25(30-24)19-6-4-12-28-16-19/h2-16H,1H3,(H,29,30,31).
What are the key properties of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 438.92 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).