N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H22N2O — CID 106901490

IUPACN-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC1CC1)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O/c1-2-18(11-12-7-8-12)16(19)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyKKKHCTDMZXPMGF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.53
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901490) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901490
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC1CC1)C(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O/c1-2-18(11-12-7-8-12)16(19)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,2,7-11H2,1H3
InChIKeyKKKHCTDMZXPMGF-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-(2-cyanoethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901308
N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901300
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901307
N-cyclopropyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901286
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
methyl 4-[methyl(1,2,3,4-tetrahydroquinoline-3-carbonyl)amino]butanoate
CID 106901292
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 82739395
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901490) is N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is CCN(CC1CC1)C(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is KKKHCTDMZXPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(11-12-7-8-12)16(19)14-9-13-5-3-4-6-15(13)17-10-14/h3-6,12,14,17H,2,7-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).