5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide

C23H21N3O3S — CID 71596288

IUPAC5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3cccs3)n(C)c(=O)c12
InChIInChI=1S/C23H21N3O3S/c1-14-6-8-15(9-7-14)13-24-22(27)16-10-11-17-19(20(16)29-3)23(28)26(2)21(25-17)18-5-4-12-30-18/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeySXXVQIHBPQIXPN-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.91
Rot. Bonds5

About 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide

5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide (PubChem CID 71596288) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
PubChem CID71596288
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3cccs3)n(C)c(=O)c12
InChIInChI=1S/C23H21N3O3S/c1-14-6-8-15(9-7-14)13-24-22(27)16-10-11-17-19(20(16)29-3)23(28)26(2)21(25-17)18-5-4-12-30-18/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeySXXVQIHBPQIXPN-UHFFFAOYSA-N
XLogP3.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2595599
N-(3-methoxyphenyl)-2-{[4-oxo-3-(thien-2-ylmethyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3533740
2-methoxy-N-(4-oxo-2-thien-2-ylquinazolin-3(4H)-yl)benzamide
CID 12005033
N-[(4-fluorophenyl)methyl]-5-methoxy-3-methyl-4-oxo-2-thiophen-2-yl-1,2-dihydroquinazoline-6-carboxamide
CID 60166393
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methoxy-3-methyl-4-oxoquinazoline-6-carboxamide
CID 60166521
N-[(4-fluorophenyl)methyl]-5-methoxy-3-methyl-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
CID 60166653
2-butyl-N-[(4-fluorophenyl)methyl]-5-methoxy-3-methyl-4-oxoquinazoline-6-carboxamide
CID 60166655
N-[(4-fluorophenyl)methyl]-5-hydroxy-3-methyl-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
CID 60166777
2-[(2-Methoxyphenyl)methylsulfanyl]-6-methyl-3-(thiophen-2-ylmethyl)quinazolin-4-one
CID 148470171
2-[(4-fluorophenyl)methyl]-5-methoxy-3-methyl-4-oxo-N-(p-tolylmethyl)quinazoline-6-carboxamide
CID 71595913
2-(4-fluorophenyl)-5-methoxy-3-methyl-4-oxo-N-(p-tolylmethyl)quinazoline-6-carboxamide
CID 71596286
4-amino-3-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 142835924

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide (CID 71596288) is 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide is COc1c(C(=O)NCc2ccc(C)cc2)ccc2nc(-c3cccs3)n(C)c(=O)c12.
What is the InChIKey of 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide?
The InChIKey is SXXVQIHBPQIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-6-8-15(9-7-14)13-24-22(27)16-10-11-17-19(20(16)29-3)23(28)26(2)21(25-17)18-5-4-12-30-18/h4-12H,13H2,1-3H3,(H,24,27).
What are the key properties of 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide?
5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71596288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).