N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide

C20H15N3O3S — CID 1419951

IUPACN-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
InChIInChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)18-21-15-9-4-2-7-13(15)20(25)23(18)22-19(24)17-11-6-12-27-17/h2-12H,1H3,(H,22,24)
InChIKeyNYQFHMRFRSLCTN-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide

N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide (PubChem CID 1419951) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide
PubChem CID1419951
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
InChIInChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)18-21-15-9-4-2-7-13(15)20(25)23(18)22-19(24)17-11-6-12-27-17/h2-12H,1H3,(H,22,24)
InChIKeyNYQFHMRFRSLCTN-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide (CID 1419951) is N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide is COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide?
The InChIKey is NYQFHMRFRSLCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)18-21-15-9-4-2-7-13(15)20(25)23(18)22-19(24)17-11-6-12-27-17/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide?
N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1419951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).