(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C13H18N2O — CID 139326055

IUPAC(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C[C@@H](C)CN2C
InChIInChI=1S/C13H18N2O/c1-9-6-11-7-10(13(16)14-2)4-5-12(11)15(3)8-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyKBPLOBKTVRQXDW-SECBINFHSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds1

About (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 139326055) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID139326055
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C[C@@H](C)CN2C
InChIInChI=1S/C13H18N2O/c1-9-6-11-7-10(13(16)14-2)4-5-12(11)15(3)8-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyKBPLOBKTVRQXDW-SECBINFHSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326271
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N,1-dimethyl-2,3-dihydro-1H-indene-5-carboxamide
CID 58663133
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
CID 168659765
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 58147184
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726

Frequently Asked Questions

What is the IUPAC name of (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 139326055) is (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CNC(=O)c1ccc2c(c1)C[C@@H](C)CN2C.
What is the InChIKey of (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is KBPLOBKTVRQXDW-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-11-7-10(13(16)14-2)4-5-12(11)15(3)8-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
(3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,1,3-trimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 139326055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).