N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide

C19H15N3O2S — CID 4574683

IUPACN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1cccs1)c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-18(13-7-2-1-3-8-13)21-22-17(16-11-6-12-25-16)20-15-10-5-4-9-14(15)19(22)24/h1-12,17,20H,(H,21,23)
InChIKeyBRFAIYUKIJXUOJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.66
Rot. Bonds3

About N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide

N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide (PubChem CID 4574683) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
PubChem CID4574683
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide
SMILESO=C(NN1C(=O)c2ccccc2NC1c1cccs1)c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-18(13-7-2-1-3-8-13)21-22-17(16-11-6-12-25-16)20-15-10-5-4-9-14(15)19(22)24/h1-12,17,20H,(H,21,23)
InChIKeyBRFAIYUKIJXUOJ-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 4258553
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
N-[2-(4,5-dimethoxy-2-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 3577709
2-ethoxy-N-[(2R)-6-iodo-4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl]benzamide
CID 1009106
N-[(2R)-4-oxo-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
CID 1009592
(2S)-3-(4-fluorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007376
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
(2R)-3-(2-chlorophenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 7327692
N-[2-(furan-3-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3537495
N-[(2S)-6-bromo-4-oxo-2-(2,4,6-trimethylphenyl)-1,2-dihydroquinazolin-3-yl]benzamide
CID 1009139
N-[2-(6-methyl-2-pyridinyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-nitrobenzamide
CID 3402653
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide (CID 4574683) is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The canonical SMILES for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide is O=C(NN1C(=O)c2ccccc2NC1c1cccs1)c1ccccc1.
What is the InChIKey of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
The InChIKey is BRFAIYUKIJXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(13-7-2-1-3-8-13)21-22-17(16-11-6-12-25-16)20-15-10-5-4-9-14(15)19(22)24/h1-12,17,20H,(H,21,23).
What are the key properties of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide?
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide has a molecular weight of 349.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzamide is sourced from PubChem (CID 4574683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).