(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C19H22N2O2 — CID 11358808

IUPAC(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2
InChIInChI=1S/C19H22N2O2/c1-13(14-6-4-3-5-7-14)20-19(22)18-10-8-15-12-16(23-2)9-11-17(15)21-18/h3-7,9,11-13,18,21H,8,10H2,1-2H3,(H,20,22)/t13-,18+/m0/s1
InChIKeyQVWMIXOYDOKKNT-SCLBCKFNSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds4

About (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 11358808) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID11358808
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2
InChIInChI=1S/C19H22N2O2/c1-13(14-6-4-3-5-7-14)20-19(22)18-10-8-15-12-16(23-2)9-11-17(15)21-18/h3-7,9,11-13,18,21H,8,10H2,1-2H3,(H,20,22)/t13-,18+/m0/s1
InChIKeyQVWMIXOYDOKKNT-SCLBCKFNSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 11347429
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 11358808) is (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is COc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N2.
What is the InChIKey of (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is QVWMIXOYDOKKNT-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(14-6-4-3-5-7-14)20-19(22)18-10-8-15-12-16(23-2)9-11-17(15)21-18/h3-7,9,11-13,18,21H,8,10H2,1-2H3,(H,20,22)/t13-,18+/m0/s1.
What are the key properties of (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 11358808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).