(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H27N3O2 — CID 139325986

IUPAC(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NC3CCNCC3)cc2CC(C)[C@@H]1C
InChIInChI=1S/C19H27N3O2/c1-12-10-16-11-15(19(24)21-17-6-8-20-9-7-17)4-5-18(16)22(13(12)2)14(3)23/h4-5,11-13,17,20H,6-10H2,1-3H3,(H,21,24)/t12?,13-/m0/s1
InChIKeyUCEMLYXJUOYQPD-ABLWVSNPSA-N
MW329.44 g/mol
LogP2.10
Rot. Bonds2

About (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide

(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 139325986) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID139325986
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NC3CCNCC3)cc2CC(C)[C@@H]1C
InChIInChI=1S/C19H27N3O2/c1-12-10-16-11-15(19(24)21-17-6-8-20-9-7-17)4-5-18(16)22(13(12)2)14(3)23/h4-5,11-13,17,20H,6-10H2,1-3H3,(H,21,24)/t12?,13-/m0/s1
InChIKeyUCEMLYXJUOYQPD-ABLWVSNPSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413
(2S,3R)-1-acetyl-N-(3-methoxypropyl)-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167025007
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-1-acetyl-2-ethyl-3-methyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325836
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
N-[1-[(2S,3R)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-2-ethyl-3,3-dimethylbutanamide
CID 139325951
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 139325986) is (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(=O)NC3CCNCC3)cc2CC(C)[C@@H]1C.
What is the InChIKey of (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is UCEMLYXJUOYQPD-ABLWVSNPSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-10-16-11-15(19(24)21-17-6-8-20-9-7-17)4-5-18(16)22(13(12)2)14(3)23/h4-5,11-13,17,20H,6-10H2,1-3H3,(H,21,24)/t12?,13-/m0/s1.
What are the key properties of (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 139325986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).