N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide

C18H26N2O — CID 81424228

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1cccc2c1NCCC2)C1CCCCCC1
InChIInChI=1S/C18H26N2O/c21-18(15-7-3-1-2-4-8-15)20-13-16-10-5-9-14-11-6-12-19-17(14)16/h5,9-10,15,19H,1-4,6-8,11-13H2,(H,20,21)
InChIKeyDQUBSWDECKGXBU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide (PubChem CID 81424228) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
PubChem CID81424228
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1cccc2c1NCCC2)C1CCCCCC1
InChIInChI=1S/C18H26N2O/c21-18(15-7-3-1-2-4-8-15)20-13-16-10-5-9-14-11-6-12-19-17(14)16/h5,9-10,15,19H,1-4,6-8,11-13H2,(H,20,21)
InChIKeyDQUBSWDECKGXBU-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]oxane-3-carboxamide
CID 81424224
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)benzamide
CID 81423548
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
CID 81423062
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]cyclopentane-1-carboxamide
CID 107176837
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
CID 103206937

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide (CID 81424228) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide is O=C(NCc1cccc2c1NCCC2)C1CCCCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide?
The InChIKey is DQUBSWDECKGXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(15-7-3-1-2-4-8-15)20-13-16-10-5-9-14-11-6-12-19-17(14)16/h5,9-10,15,19H,1-4,6-8,11-13H2,(H,20,21).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.63, 3 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-8-ylmethyl)cycloheptanecarboxamide is sourced from PubChem (CID 81424228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).