N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide

C17H24N2O — CID 62633858

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CCCCCC1
InChIInChI=1S/C17H24N2O/c20-17(13-6-3-1-2-4-7-13)19-15-9-10-16-14(12-15)8-5-11-18-16/h9-10,12-13,18H,1-8,11H2,(H,19,20)
InChIKeyWYBGUIPIKUTZBT-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.95
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide

N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide (PubChem CID 62633858) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
PubChem CID62633858
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CCCCCC1
InChIInChI=1S/C17H24N2O/c20-17(13-6-3-1-2-4-7-13)19-15-9-10-16-14(12-15)8-5-11-18-16/h9-10,12-13,18H,1-8,11H2,(H,19,20)
InChIKeyWYBGUIPIKUTZBT-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-3-carboxamide
CID 81485613
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119547336
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide (CID 62633858) is N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide is O=C(Nc1ccc2c(c1)CCCN2)C1CCCCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide?
The InChIKey is WYBGUIPIKUTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(13-6-3-1-2-4-7-13)19-15-9-10-16-14(12-15)8-5-11-18-16/h9-10,12-13,18H,1-8,11H2,(H,19,20).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide?
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide is sourced from PubChem (CID 62633858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).