N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C14H19N3O2 — CID 55118334

IUPACN-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H19N3O2/c1-15-13(18)6-8-17-14(19)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,16H,2-3,6-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyROCISPFMLLJBLE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.91
Rot. Bonds4

About N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 55118334) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID55118334
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H19N3O2/c1-15-13(18)6-8-17-14(19)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,16H,2-3,6-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyROCISPFMLLJBLE-UHFFFAOYSA-N
XLogP0.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-methyl-N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106915205
N-[2-(cyclopenten-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106175431
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 55118334) is N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CNC(=O)CCNC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is ROCISPFMLLJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-13(18)6-8-17-14(19)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,16H,2-3,6-8H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 55118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).