N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H29N3O2 — CID 119621149

IUPACN-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H29N3O2/c23-18(21-12-11-20-15-8-3-1-2-4-9-15)16-13-14-7-5-6-10-17(14)22-19(16)24/h13,15,20H,1-12H2,(H,21,23)(H,22,24)
InChIKeyLCGOOSLLUNYVTD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 119621149) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID119621149
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H29N3O2/c23-18(21-12-11-20-15-8-3-1-2-4-9-15)16-13-14-7-5-6-10-17(14)22-19(16)24/h13,15,20H,1-12H2,(H,21,23)(H,22,24)
InChIKeyLCGOOSLLUNYVTD-UHFFFAOYSA-N
XLogP2.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
2-oxo-N-(2-piperidin-3-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119558878
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
N-(2-amino-1-cyclohexylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119591704
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119463989
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873
methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
CID 137349349
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 120810687

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 119621149) is N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCCNC1CCCCCC1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is LCGOOSLLUNYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-18(21-12-11-20-15-8-3-1-2-4-9-15)16-13-14-7-5-6-10-17(14)22-19(16)24/h13,15,20H,1-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 119621149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).