N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide

C17H20N4O3S — CID 70875395

IUPACN-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20N4O3S/c18-14(22)10-25-17-19-13-8-4-3-7-12(13)16(24)21(17)20-15(23)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,22)(H,20,23)
InChIKeyNJPKQBBQHGKMGA-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide

N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide (PubChem CID 70875395) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide
PubChem CID70875395
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20N4O3S/c18-14(22)10-25-17-19-13-8-4-3-7-12(13)16(24)21(17)20-15(23)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,22)(H,20,23)
InChIKeyNJPKQBBQHGKMGA-UHFFFAOYSA-N
XLogP1.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
CID 70838370
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
N-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-2-phenylacetamide
CID 40782962
2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 43298853
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
N-(cyclohexylmethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 18083188
N-(cyclohexylmethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588869
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
3-(N-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]anilino)propanamide
CID 27191122

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide (CID 70875395) is N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide is NC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)CC1CCCC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide?
The InChIKey is NJPKQBBQHGKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c18-14(22)10-25-17-19-13-8-4-3-7-12(13)16(24)21(17)20-15(23)9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,22)(H,20,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide?
N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 70875395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).