(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide

C14H16ClN3O2S — CID 136706835

IUPAC(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2S/c1-3-6-16-12(19)8(2)21-14-17-11-7-9(15)4-5-10(11)13(20)18-14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H,17,18,20)/t8-/m1/s1
InChIKeyAOGJMHFKIKPLKJ-MRVPVSSYSA-N
MW325.82 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide

(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide (PubChem CID 136706835) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide
PubChem CID136706835
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2S/c1-3-6-16-12(19)8(2)21-14-17-11-7-9(15)4-5-10(11)13(20)18-14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H,17,18,20)/t8-/m1/s1
InChIKeyAOGJMHFKIKPLKJ-MRVPVSSYSA-N
XLogP2.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135745681
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide
CID 46622053
N-(3,5-dichlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686094
(2S)-N-(ethylcarbamoyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136857258
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686097
(2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 9267560
(2R)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 136905107
(2S)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-methylpropanamide
CID 136718124
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7225718
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135544785
7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide (CID 136706835) is (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide?
The InChIKey is AOGJMHFKIKPLKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-6-16-12(19)8(2)21-14-17-11-7-9(15)4-5-10(11)13(20)18-14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)(H,17,18,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide?
(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide has a molecular weight of 325.82 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide is sourced from PubChem (CID 136706835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).