2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide

C19H23N3O2S — CID 42896909

IUPAC2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H23N3O2S/c1-3-12-20-17(23)13(2)25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h3,6-7,10-11,13-14H,1,4-5,8-9,12H2,2H3,(H,20,23)
InChIKeyRXDUMBJPLLVVLB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide (PubChem CID 42896909) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
PubChem CID42896909
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H23N3O2S/c1-3-12-20-17(23)13(2)25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h3,6-7,10-11,13-14H,1,4-5,8-9,12H2,2H3,(H,20,23)
InChIKeyRXDUMBJPLLVVLB-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 8726103
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 51235119
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 46623488
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8980500
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7988567
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
methyl 3-[4-oxo-2-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazolin-3-yl]propanoate
CID 9000552
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide (CID 42896909) is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The InChIKey is RXDUMBJPLLVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-12-20-17(23)13(2)25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h3,6-7,10-11,13-14H,1,4-5,8-9,12H2,2H3,(H,20,23).
What are the key properties of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide?
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide has a molecular weight of 357.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 42896909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).