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

C18H25N3O2 — CID 144701598

IUPAC(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILES[H]/N=C(\C)N1c2ccc(C(=O)NCCO)cc2C[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C18H25N3O2/c1-11-9-15-10-14(18(23)20-7-8-22)5-6-16(15)21(12(2)19)17(11)13-3-4-13/h5-6,10-11,13,17,19,22H,3-4,7-9H2,1-2H3,(H,20,23)/b19-12+/t11-,17-/m1/s1
InChIKeyYIENGQYMYFQERM-TZCGGTEVSA-N
MW315.42 g/mol
LogP2.18
Rot. Bonds4

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

(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 144701598) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID144701598
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILES[H]/N=C(\C)N1c2ccc(C(=O)NCCO)cc2C[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C18H25N3O2/c1-11-9-15-10-14(18(23)20-7-8-22)5-6-16(15)21(12(2)19)17(11)13-3-4-13/h5-6,10-11,13,17,19,22H,3-4,7-9H2,1-2H3,(H,20,23)/b19-12+/t11-,17-/m1/s1
InChIKeyYIENGQYMYFQERM-TZCGGTEVSA-N
XLogP2.18
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701590
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)-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
(2S)-1-acetyl-2-ethyl-3-methyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325836
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
(2S)-1-acetyl-2,3-dimethyl-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139325986
1-acetyl-2-cyclopropyl-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123598655
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
1-[(2R,3R)-2-cyclopropyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325824

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 144701598) is (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is [H]/N=C(\C)N1c2ccc(C(=O)NCCO)cc2C[C@@H](C)[C@@H]1C1CC1.
What is the InChIKey of (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is YIENGQYMYFQERM-TZCGGTEVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-9-15-10-14(18(23)20-7-8-22)5-6-16(15)21(12(2)19)17(11)13-3-4-13/h5-6,10-11,13,17,19,22H,3-4,7-9H2,1-2H3,(H,20,23)/b19-12+/t11-,17-/m1/s1.
What are the key properties of (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide?
(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 144701598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).