N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

C14H20N2O2 — CID 113426014

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(CO)N(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3
InChIKeyRQYYGRDBHRKRON-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 113426014) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID113426014
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(CO)N(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3
InChIKeyRQYYGRDBHRKRON-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325599
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60936689
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 113426014) is N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC(CO)N(C)C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is RQYYGRDBHRKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)12-5-6-13-11(8-12)4-3-7-15-13/h5-6,8,10,15,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 113426014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).