6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide

C21H22ClN3OS — CID 39987741

IUPAC6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C21H22ClN3OS/c1-14-17(12-15-11-16(22)6-7-18(15)24-14)21(26)23-13-19(20-5-4-10-27-20)25-8-2-3-9-25/h4-7,10-12,19H,2-3,8-9,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyRVPRUSNEGICKKR-LJQANCHMSA-N
MW399.95 g/mol
LogP4.83
Rot. Bonds5

About 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide

6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide (PubChem CID 39987741) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
PubChem CID39987741
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC Name6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C21H22ClN3OS/c1-14-17(12-15-11-16(22)6-7-18(15)24-14)21(26)23-13-19(20-5-4-10-27-20)25-8-2-3-9-25/h4-7,10-12,19H,2-3,8-9,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyRVPRUSNEGICKKR-LJQANCHMSA-N
XLogP4.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide with MolForge

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Related Compounds

4-chloro-2-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
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N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
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4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
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4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
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5-chloro-3-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
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N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
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5-chloro-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
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3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
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2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide (CID 39987741) is 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1cccs1)N1CCCC1.
What is the InChIKey of 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide?
The InChIKey is RVPRUSNEGICKKR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-14-17(12-15-11-16(22)6-7-18(15)24-14)21(26)23-13-19(20-5-4-10-27-20)25-8-2-3-9-25/h4-7,10-12,19H,2-3,8-9,13H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide?
6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide has a molecular weight of 399.95 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide is sourced from PubChem (CID 39987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).