4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline

C23H21N3O — CID 67699971

IUPAC4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C(C)C)n3)nc3ccccc23)c1
InChIInChI=1S/C23H21N3O/c1-15(2)19-12-7-13-21(24-19)23-25-20-11-5-4-10-18(20)22(26-23)16-8-6-9-17(14-16)27-3/h4-15H,1-3H3
InChIKeyBZPNQSDYHUXMFH-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.49
Rot. Bonds4

About 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline

4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline (PubChem CID 67699971) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
PubChem CID67699971
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
SMILESCOc1cccc(-c2nc(-c3cccc(C(C)C)n3)nc3ccccc23)c1
InChIInChI=1S/C23H21N3O/c1-15(2)19-12-7-13-21(24-19)23-25-20-11-5-4-10-18(20)22(26-23)16-8-6-9-17(14-16)27-3/h4-15H,1-3H3
InChIKeyBZPNQSDYHUXMFH-UHFFFAOYSA-N
XLogP5.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
CID 67701962
4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701779
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
2-(4-methoxy-2-methylphenyl)-6-propan-2-ylpyridine
CID 67473607
2-(6-methylquinolin-2-yl)-4-phenylquinazoline
CID 162351932
2-(4-methoxy-2,6-dimethylphenyl)-4-(4-methylphenyl)quinazoline
CID 177453043
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
4-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67700753
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline?
The IUPAC name of 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline (CID 67699971) is 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline is COc1cccc(-c2nc(-c3cccc(C(C)C)n3)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline?
The InChIKey is BZPNQSDYHUXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15(2)19-12-7-13-21(24-19)23-25-20-11-5-4-10-18(20)22(26-23)16-8-6-9-17(14-16)27-3/h4-15H,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline?
4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline has a molecular weight of 355.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline is sourced from PubChem (CID 67699971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).