(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H26N2O3 — CID 144701590

IUPAC(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NCC(C)O)cc2CC(C)[C@@H]1C1CC1
InChIInChI=1S/C19H26N2O3/c1-11-8-16-9-15(19(24)20-10-12(2)22)6-7-17(16)21(13(3)23)18(11)14-4-5-14/h6-7,9,11-12,14,18,22H,4-5,8,10H2,1-3H3,(H,20,24)/t11?,12?,18-/m1/s1
InChIKeyNEEBMMYRZSTJQG-NBZRYXJFSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds4

About (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide

(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 144701590) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID144701590
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NCC(C)O)cc2CC(C)[C@@H]1C1CC1
InChIInChI=1S/C19H26N2O3/c1-11-8-16-9-15(19(24)20-10-12(2)22)6-7-17(16)21(13(3)23)18(11)14-4-5-14/h6-7,9,11-12,14,18,22H,4-5,8,10H2,1-3H3,(H,20,24)/t11?,12?,18-/m1/s1
InChIKeyNEEBMMYRZSTJQG-NBZRYXJFSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701670
(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701598
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413
1-[(2R)-6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 174002492
1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 174002526
1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167025025
(2S,3R)-1-acetyl-N-(3-methoxypropyl)-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167025007
(2S)-1-acetyl-2-ethyl-3-methyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325836
1-[(2R,3R)-2-cyclopropyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325824
(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325986
(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
CID 144701519
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 144701590) is (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(=O)NCC(C)O)cc2CC(C)[C@@H]1C1CC1.
What is the InChIKey of (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is NEEBMMYRZSTJQG-NBZRYXJFSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-8-16-9-15(19(24)20-10-12(2)22)6-7-17(16)21(13(3)23)18(11)14-4-5-14/h6-7,9,11-12,14,18,22H,4-5,8,10H2,1-3H3,(H,20,24)/t11?,12?,18-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 144701590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).