N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride

C20H23Cl2N3O — CID 119477643

IUPACN-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C20H21N3O.2ClH/c21-14-7-9-15(10-8-14)23-20(24)18-12-13-4-1-2-5-16(13)17-6-3-11-22-19(17)18;;/h1-6,11-12,14-15H,7-10,21H2,(H,23,24);2*1H
InChIKeyXIFNXMGMADCNFV-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.23
Rot. Bonds2

About N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride (PubChem CID 119477643) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
PubChem CID119477643
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1
InChIInChI=1S/C20H21N3O.2ClH/c21-14-7-9-15(10-8-14)23-20(24)18-12-13-4-1-2-5-16(13)17-6-3-11-22-19(17)18;;/h1-6,11-12,14-15H,7-10,21H2,(H,23,24);2*1H
InChIKeyXIFNXMGMADCNFV-UHFFFAOYSA-N
XLogP4.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
CID 119475262
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
CID 71895819
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride (CID 119477643) is N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride?
The InChIKey is XIFNXMGMADCNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.2ClH/c21-14-7-9-15(10-8-14)23-20(24)18-12-13-4-1-2-5-16(13)17-6-3-11-22-19(17)18;;/h1-6,11-12,14-15H,7-10,21H2,(H,23,24);2*1H.
What are the key properties of N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119477643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).