(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C19H23N3O2 — CID 143087337

IUPAC(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@H]1C(c2ccco2)Nc2ccc(C(=O)NC3CC3)cc2[C@H]1N
InChIInChI=1S/C19H23N3O2/c1-2-13-17(20)14-10-11(19(23)21-12-6-7-12)5-8-15(14)22-18(13)16-4-3-9-24-16/h3-5,8-10,12-13,17-18,22H,2,6-7,20H2,1H3,(H,21,23)/t13-,17+,18?/m1/s1
InChIKeyGPXJWGOXDNKHFN-GTDUKUAFSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds4

About (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 143087337) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID143087337
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@H]1C(c2ccco2)Nc2ccc(C(=O)NC3CC3)cc2[C@H]1N
InChIInChI=1S/C19H23N3O2/c1-2-13-17(20)14-10-11(19(23)21-12-6-7-12)5-8-15(14)22-18(13)16-4-3-9-24-16/h3-5,8-10,12-13,17-18,22H,2,6-7,20H2,1H3,(H,21,23)/t13-,17+,18?/m1/s1
InChIKeyGPXJWGOXDNKHFN-GTDUKUAFSA-N
XLogP3.36
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide with MolForge

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Related Compounds

prop-2-enyl (3aS,9bS)-8-(cyclobutylcarbamoyl)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboxylate
CID 58919341
N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11596287
(4aR,10bS)-N-cyclopropyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 58919343
N-cyclopentyl-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11639409
N-cyclopentyl-5-(4-ethoxyphenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine-9-carboxamide
CID 11502641
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
(1S,2R,10R,11R,12S)-N-cyclopropyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124786976
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
(1S,2R,10S,11R,12S)-N-cyclopentyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124785320
(1S,2R,10R,11R,12S)-N-cyclopentyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124785322
N-(4-ethylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61470340
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 143087337) is (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC[C@H]1C(c2ccco2)Nc2ccc(C(=O)NC3CC3)cc2[C@H]1N.
What is the InChIKey of (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is GPXJWGOXDNKHFN-GTDUKUAFSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-13-17(20)14-10-11(19(23)21-12-6-7-12)5-8-15(14)22-18(13)16-4-3-9-24-16/h3-5,8-10,12-13,17-18,22H,2,6-7,20H2,1H3,(H,21,23)/t13-,17+,18?/m1/s1.
What are the key properties of (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
(3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-N-cyclopropyl-3-ethyl-2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 143087337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).