2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine

C26H19ClN4O — CID 44532960

IUPAC2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(-c2cc(Nc3nc(-c4cccc(Cl)c4)nc4ccccc34)ccn2)cc1
InChIInChI=1S/C26H19ClN4O/c1-32-21-11-9-17(10-12-21)24-16-20(13-14-28-24)29-26-22-7-2-3-8-23(22)30-25(31-26)18-5-4-6-19(27)15-18/h2-16H,1H3,(H,28,29,30,31)
InChIKeyVVCMMKWMFITLQY-UHFFFAOYSA-N
MW438.92 g/mol
LogP6.76
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine

2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine (PubChem CID 44532960) has the molecular formula C26H19ClN4O and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
PubChem CID44532960
Molecular FormulaC26H19ClN4O
Molecular Weight438.92 g/mol
Exact Mass438.12
IUPAC Name2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(-c2cc(Nc3nc(-c4cccc(Cl)c4)nc4ccccc34)ccn2)cc1
InChIInChI=1S/C26H19ClN4O/c1-32-21-11-9-17(10-12-21)24-16-20(13-14-28-24)29-26-22-7-2-3-8-23(22)30-25(31-26)18-5-4-6-19(27)15-18/h2-16H,1H3,(H,28,29,30,31)
InChIKeyVVCMMKWMFITLQY-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 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine (CID 44532960) is 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine is COc1ccc(-c2cc(Nc3nc(-c4cccc(Cl)c4)nc4ccccc34)ccn2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine?
The InChIKey is VVCMMKWMFITLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O/c1-32-21-11-9-17(10-12-21)24-16-20(13-14-28-24)29-26-22-7-2-3-8-23(22)30-25(31-26)18-5-4-6-19(27)15-18/h2-16H,1H3,(H,28,29,30,31).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine?
2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-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 2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 44532960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).