N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C16H21ClFN3O2 — CID 119475717

IUPACN-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN3O2.ClH/c17-9-1-6-12-13(8-15(21)20-14(12)7-9)16(22)19-11-4-2-10(18)3-5-11;/h1,6-7,10-11,13H,2-5,8,18H2,(H,19,22)(H,20,21);1H
InChIKeyWTOJWVZKUORPEI-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.06
Rot. Bonds2

About N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119475717) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119475717
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1
InChIInChI=1S/C16H20FN3O2.ClH/c17-9-1-6-12-13(8-15(21)20-14(12)7-9)16(22)19-11-4-2-10(18)3-5-11;/h1,6-7,10-11,13H,2-5,8,18H2,(H,19,22)(H,20,21);1H
InChIKeyWTOJWVZKUORPEI-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119475717) is N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2CC(=O)Nc3cc(F)ccc32)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is WTOJWVZKUORPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.ClH/c17-9-1-6-12-13(8-15(21)20-14(12)7-9)16(22)19-11-4-2-10(18)3-5-11;/h1,6-7,10-11,13H,2-5,8,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119475717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).