N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C17H14N4O2S — CID 27134373

IUPACN-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3sccc3C#N)cnc12
InChIInChI=1S/C17H14N4O2S/c1-11-3-2-4-13-15(11)19-10-21(17(13)23)7-5-14(22)20-16-12(9-18)6-8-24-16/h2-4,6,8,10H,5,7H2,1H3,(H,20,22)
InChIKeyQMHYOBVKGVVFGX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.67
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 27134373) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID27134373
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3sccc3C#N)cnc12
InChIInChI=1S/C17H14N4O2S/c1-11-3-2-4-13-15(11)19-10-21(17(13)23)7-5-14(22)20-16-12(9-18)6-8-24-16/h2-4,6,8,10H,5,7H2,1H3,(H,20,22)
InChIKeyQMHYOBVKGVVFGX-UHFFFAOYSA-N
XLogP2.67
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
CID 27146774
ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
CID 55671104
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N-[(2R)-2-cyano-4-methylpentan-2-yl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 97315938
N-(2-cyano-4-methylpentan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 75418855
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
CID 55811016

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 27134373) is N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3sccc3C#N)cnc12.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QMHYOBVKGVVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11-3-2-4-13-15(11)19-10-21(17(13)23)7-5-14(22)20-16-12(9-18)6-8-24-16/h2-4,6,8,10H,5,7H2,1H3,(H,20,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 338.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 27134373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).