N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C17H22N2O — CID 104954916

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1cccc2c1CCCN2
InChIInChI=1S/C17H22N2O/c20-16(19-11-17(8-9-17)12-6-7-12)14-3-1-5-15-13(14)4-2-10-18-15/h1,3,5,12,18H,2,4,6-11H2,(H,19,20)
InChIKeyJSOFCZYFXIAFNN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.96
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 104954916) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID104954916
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1cccc2c1CCCN2
InChIInChI=1S/C17H22N2O/c20-16(19-11-17(8-9-17)12-6-7-12)14-3-1-5-15-13(14)4-2-10-18-15/h1,3,5,12,18H,2,4,6-11H2,(H,19,20)
InChIKeyJSOFCZYFXIAFNN-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 104954916) is N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(NCC1(C2CC2)CC1)c1cccc2c1CCCN2.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is JSOFCZYFXIAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16(19-11-17(8-9-17)12-6-7-12)14-3-1-5-15-13(14)4-2-10-18-15/h1,3,5,12,18H,2,4,6-11H2,(H,19,20).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 104954916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).