6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C21H20ClN3O2 — CID 2965727

IUPAC6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C21H20ClN3O2/c1-13(20-6-4-10-27-20)24-21(26)16-12-19(18-5-2-3-9-23-18)25-17-8-7-14(22)11-15(16)17/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,24,26)
InChIKeyDCYDBZCTGYGNTI-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.25
Rot. Bonds4

About 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2965727) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2965727
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C21H20ClN3O2/c1-13(20-6-4-10-27-20)24-21(26)16-12-19(18-5-2-3-9-23-18)25-17-8-7-14(22)11-15(16)17/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,24,26)
InChIKeyDCYDBZCTGYGNTI-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532
6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965680
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 899137
5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95281365
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 2965727) is 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)C1CCCO1.
What is the InChIKey of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is DCYDBZCTGYGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(20-6-4-10-27-20)24-21(26)16-12-19(18-5-2-3-9-23-18)25-17-8-7-14(22)11-15(16)17/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,24,26).
What are the key properties of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).