N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide

C17H18N4O2S — CID 99930855

IUPACN,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCc1csc([C@@H](C)N(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-24-15(19-10)11(2)21(4)16(22)12-5-6-13-14(7-12)18-9-20(3)17(13)23/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyUHASKZBKQRGFKM-LLVKDONJSA-N
MW342.42 g/mol
LogP2.53
Rot. Bonds3

About N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide

N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 99930855) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide
PubChem CID99930855
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCc1csc([C@@H](C)N(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-24-15(19-10)11(2)21(4)16(22)12-5-6-13-14(7-12)18-9-20(3)17(13)23/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyUHASKZBKQRGFKM-LLVKDONJSA-N
XLogP2.53
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 99930856
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
N,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 20655939
7-(3-methoxypropanoylamino)-N,1-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylbenzimidazole-5-carboxamide
CID 42432983
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
3-benzhydryl-N-methyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 26353558
N-methyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711578
N,8-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95046413
N,8-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95046415
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 77079483
N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 99943907

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide (CID 99930855) is N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide is Cc1csc([C@@H](C)N(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)n1.
What is the InChIKey of N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is UHASKZBKQRGFKM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-8-24-15(19-10)11(2)21(4)16(22)12-5-6-13-14(7-12)18-9-20(3)17(13)23/h5-9,11H,1-4H3/t11-/m1/s1.
What are the key properties of N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide?
N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 99930855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).