7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one

C19H18Cl2N2OS — CID 7359679

IUPAC7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@@H](C)c2ccccc2Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H18Cl2N2OS/c1-3-10-23-18(24)15-9-8-13(20)11-17(15)22-19(23)25-12(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3/t12-/m0/s1
InChIKeyUDHMVRPQUWCWJH-LBPRGKRZSA-N
MW393.34 g/mol
LogP5.97
Rot. Bonds5

About 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one

7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 7359679) has the molecular formula C19H18Cl2N2OS and a molecular weight of 393.34 g/mol. Its IUPAC name is 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
PubChem CID7359679
Molecular FormulaC19H18Cl2N2OS
Molecular Weight393.34 g/mol
Exact Mass392.05
IUPAC Name7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(S[C@@H](C)c2ccccc2Cl)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H18Cl2N2OS/c1-3-10-23-18(24)15-9-8-13(20)11-17(15)22-19(23)25-12(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3/t12-/m0/s1
InChIKeyUDHMVRPQUWCWJH-LBPRGKRZSA-N
XLogP5.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[1-(2-chlorophenyl)ethylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 18281936
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 2488390
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 41052877
methyl 3-[2-[1-(2-chlorophenyl)ethylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 18197210
N-(2-chloro-4-fluorophenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16510347
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
7-chloro-3-(3-methylbutyl)-2-(1-pyridin-3-ylethylsulfanyl)quinazolin-4-one
CID 55812248
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
7-chloro-3-(3-methylbutyl)-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46567644
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 40811720
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 24593532

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one (CID 7359679) is 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(S[C@@H](C)c2ccccc2Cl)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is UDHMVRPQUWCWJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18Cl2N2OS/c1-3-10-23-18(24)15-9-8-13(20)11-17(15)22-19(23)25-12(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one?
7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 393.34 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 7359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).