(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile

C14H14ClN3OS — CID 2488390

IUPAC(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
SMILESCCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H14ClN3OS/c1-3-6-18-13(19)11-5-4-10(15)7-12(11)17-14(18)20-9(2)8-16/h4-5,7,9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyANVMMZQOUPOONK-SECBINFHSA-N
MW307.81 g/mol
LogP3.46
Rot. Bonds4

About (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile

(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile (PubChem CID 2488390) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
PubChem CID2488390
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
SMILESCCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C14H14ClN3OS/c1-3-6-18-13(19)11-5-4-10(15)7-12(11)17-14(18)20-9(2)8-16/h4-5,7,9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyANVMMZQOUPOONK-SECBINFHSA-N
XLogP3.46
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 7798464
7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 7359679
(2S)-2-[3-[4-[(2S)-butan-2-yl]phenyl]-7-chloro-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 7908293
(2S)-2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylpropanenitrile
CID 7739412
(2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanenitrile
CID 2487836
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
3-chloro-5-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
CID 133427785
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 41052877
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
5-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpentanenitrile
CID 112777897
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
N-(2-chloro-4-fluorophenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16510347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile?
The IUPAC name of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile (CID 2488390) is (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile.
What is the SMILES notation for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile?
The canonical SMILES for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile is CCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile?
The InChIKey is ANVMMZQOUPOONK-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-3-6-18-13(19)11-5-4-10(15)7-12(11)17-14(18)20-9(2)8-16/h4-5,7,9H,3,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile?
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile has a molecular weight of 307.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile is sourced from PubChem (CID 2488390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).