[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C19H22ClN3OS — CID 97257203

IUPAC[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccc(Cl)c2ccc(N3CCC[C@@H]3C(=O)N3CCSCC3)nc12
InChIInChI=1S/C19H22ClN3OS/c1-13-4-6-15(20)14-5-7-17(21-18(13)14)23-8-2-3-16(23)19(24)22-9-11-25-12-10-22/h4-7,16H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyVPDINVORSFBLML-MRXNPFEDSA-N
MW375.93 g/mol
LogP3.74
Rot. Bonds2

About [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 97257203) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID97257203
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccc(Cl)c2ccc(N3CCC[C@@H]3C(=O)N3CCSCC3)nc12
InChIInChI=1S/C19H22ClN3OS/c1-13-4-6-15(20)14-5-7-17(21-18(13)14)23-8-2-3-16(23)19(24)22-9-11-25-12-10-22/h4-7,16H,2-3,8-12H2,1H3/t16-/m1/s1
InChIKeyVPDINVORSFBLML-MRXNPFEDSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 75470826
(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059729
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177634
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
3-chloro-5-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 95971135
2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 75443207
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
(3S)-1-(5-chloro-8-methylquinolin-2-yl)-3-hydroxypiperidine-3-carboxamide
CID 129483234
(8aR)-7-(5-chloro-8-methylquinolin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97340632
1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331252

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 97257203) is [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is Cc1ccc(Cl)c2ccc(N3CCC[C@@H]3C(=O)N3CCSCC3)nc12.
What is the InChIKey of [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VPDINVORSFBLML-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c1-13-4-6-15(20)14-5-7-17(21-18(13)14)23-8-2-3-16(23)19(24)22-9-11-25-12-10-22/h4-7,16H,2-3,8-12H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 375.93 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 97257203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).