(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C18H16ClN3O2S — CID 7907993

IUPAC(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2c(S[C@H](C)C(N)=O)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C18H16ClN3O2S/c1-10-4-3-5-13(8-10)22-17(24)14-7-6-12(19)9-15(14)21-18(22)25-11(2)16(20)23/h3-9,11H,1-2H3,(H2,20,23)/t11-/m1/s1
InChIKeyMOXBJSDZCGINBM-LLVKDONJSA-N
MW373.87 g/mol
LogP3.31
Rot. Bonds4

About (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 7907993) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID7907993
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2c(S[C@H](C)C(N)=O)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C18H16ClN3O2S/c1-10-4-3-5-13(8-10)22-17(24)14-7-6-12(19)9-15(14)21-18(22)25-11(2)16(20)23/h3-9,11H,1-2H3,(H2,20,23)/t11-/m1/s1
InChIKeyMOXBJSDZCGINBM-LLVKDONJSA-N
XLogP3.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(3-methylphenyl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylquinazolin-4-one
CID 42972283
(2R)-2-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2669698
7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8527823
(2S)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7419965
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 8527822
(2S)-2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 25486842
7-chloro-3-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112787006
7-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one
CID 16544163
7-chloro-3-(2,3-dimethylphenyl)-2-(3-oxobutan-2-ylsulfanyl)quinazolin-4-one
CID 46794726
(2R)-2-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylpropanamide
CID 2648054
N-carbamoyl-2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 42980480
N-(4-acetamidophenyl)-2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16541387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 7907993) is (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is Cc1cccc(-n2c(S[C@H](C)C(N)=O)nc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is MOXBJSDZCGINBM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-10-4-3-5-13(8-10)22-17(24)14-7-6-12(19)9-15(14)21-18(22)25-11(2)16(20)23/h3-9,11H,1-2H3,(H2,20,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 373.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 7907993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).