N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride

C19H27Cl2N3O — CID 119620989

IUPACN-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C19H25N3O.2ClH/c23-19(16-9-10-18-15(14-16)6-5-11-21-18)22-13-12-20-17-7-3-1-2-4-8-17;;/h5-6,9-11,14,17,20H,1-4,7-8,12-13H2,(H,22,23);2*1H
InChIKeyPJJQWYPZCDRYTM-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride

N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride (PubChem CID 119620989) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
PubChem CID119620989
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC NameN-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C19H25N3O.2ClH/c23-19(16-9-10-18-15(14-16)6-5-11-21-18)22-13-12-20-17-7-3-1-2-4-8-17;;/h5-6,9-11,14,17,20H,1-4,7-8,12-13H2,(H,22,23);2*1H
InChIKeyPJJQWYPZCDRYTM-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
CID 119619715
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-octylquinoline-6-carboxamide
CID 68863650
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
N-[2-(cycloheptylamino)ethyl]-3-nitrobenzamide;hydrochloride
CID 119621295
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride (CID 119620989) is N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride?
The InChIKey is PJJQWYPZCDRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c23-19(16-9-10-18-15(14-16)6-5-11-21-18)22-13-12-20-17-7-3-1-2-4-8-17;;/h5-6,9-11,14,17,20H,1-4,7-8,12-13H2,(H,22,23);2*1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride?
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119620989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).