6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline

C22H18N2O — CID 176664892

IUPAC6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline
SMILESCOc1ccc2ncnc(Cc3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C22H18N2O/c1-25-19-10-11-21-20(14-19)22(24-15-23-21)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12,14-15H,13H2,1H3
InChIKeyAPUWKMRQQADRRU-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.90
Rot. Bonds4

About 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline

6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline (PubChem CID 176664892) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline
PubChem CID176664892
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline
SMILESCOc1ccc2ncnc(Cc3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C22H18N2O/c1-25-19-10-11-21-20(14-19)22(24-15-23-21)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12,14-15H,13H2,1H3
InChIKeyAPUWKMRQQADRRU-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
CID 176664908
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
1,3-dibenzyl-7-methoxyisoquinoline
CID 141360236
4-methoxy-N-[[3-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 68942497
N-[2-(6-methoxyquinazolin-4-yl)ethyl]propanamide
CID 162656758
4-benzylperoxy-6-methoxyquinoline
CID 141085895
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919
1-methoxy-4-[3-(thionitrosomethyl)phenyl]benzene
CID 174476186
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
1-(6-methoxy-2-methylquinazolin-4-yl)-N-methylmethanamine
CID 105471311

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline?
The IUPAC name of 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline (CID 176664892) is 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline.
What is the SMILES notation for 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline?
The canonical SMILES for 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline is COc1ccc2ncnc(Cc3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline?
The InChIKey is APUWKMRQQADRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-19-10-11-21-20(14-19)22(24-15-23-21)13-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-12,14-15H,13H2,1H3.
What are the key properties of 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline?
6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline has a molecular weight of 326.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(3-phenylphenyl)methyl]quinazoline is sourced from PubChem (CID 176664892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).