N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide

C26H20N4O3 — CID 30867464

IUPACN-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
SMILESCOc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc5ccccc5n4)cc3c2=O)cc1
InChIInChI=1S/C26H20N4O3/c1-16-27-23-14-8-18(28-25(31)24-13-7-17-5-3-4-6-22(17)29-24)15-21(23)26(32)30(16)19-9-11-20(33-2)12-10-19/h3-15H,1-2H3,(H,28,31)
InChIKeyCQTDKPRTWFIIQP-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.50
Rot. Bonds4

About N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide

N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide (PubChem CID 30867464) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
PubChem CID30867464
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC NameN-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
SMILESCOc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc5ccccc5n4)cc3c2=O)cc1
InChIInChI=1S/C26H20N4O3/c1-16-27-23-14-8-18(28-25(31)24-13-7-17-5-3-4-6-22(17)29-24)15-21(23)26(32)30(16)19-9-11-20(33-2)12-10-19/h3-15H,1-2H3,(H,28,31)
InChIKeyCQTDKPRTWFIIQP-UHFFFAOYSA-N
XLogP4.50
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea
CID 30368597
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
CID 30867596
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide
CID 30867420

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide (CID 30867464) is N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide is COc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc5ccccc5n4)cc3c2=O)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide?
The InChIKey is CQTDKPRTWFIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-16-27-23-14-8-18(28-25(31)24-13-7-17-5-3-4-6-22(17)29-24)15-21(23)26(32)30(16)19-9-11-20(33-2)12-10-19/h3-15H,1-2H3,(H,28,31).
What are the key properties of N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide?
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide is sourced from PubChem (CID 30867464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).