5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride

C25H29ClN4O2 — CID 14881418

IUPAC5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
SMILESCl.N#CC(CCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O2.ClH/c26-18-22(19-5-2-1-3-6-19)7-4-12-28-13-15-29(16-14-28)25(31)21-8-10-23-20(17-21)9-11-24(30)27-23;/h1-3,5-6,8,10,17,22H,4,7,9,11-16H2,(H,27,30);1H
InChIKeyQDDWAZRVJINKGP-UHFFFAOYSA-N
MW452.99 g/mol
LogP3.84
Rot. Bonds6

About 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride

5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride (PubChem CID 14881418) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
PubChem CID14881418
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride
SMILESCl.N#CC(CCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O2.ClH/c26-18-22(19-5-2-1-3-6-19)7-4-12-28-13-15-29(16-14-28)25(31)21-8-10-23-20(17-21)9-11-24(30)27-23;/h1-3,5-6,8,10,17,22H,4,7,9,11-16H2,(H,27,30);1H
InChIKeyQDDWAZRVJINKGP-UHFFFAOYSA-N
XLogP3.84
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride with MolForge

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Related Compounds

2-methylpropyl N-[4-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-1-phenylbutyl]carbamate;oxalic acid
CID 14881414
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 78850215
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride?
The IUPAC name of 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride (CID 14881418) is 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride.
What is the SMILES notation for 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride?
The canonical SMILES for 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride is Cl.N#CC(CCCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)c1ccccc1.
What is the InChIKey of 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride?
The InChIKey is QDDWAZRVJINKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.ClH/c26-18-22(19-5-2-1-3-6-19)7-4-12-28-13-15-29(16-14-28)25(31)21-8-10-23-20(17-21)9-11-24(30)27-23;/h1-3,5-6,8,10,17,22H,4,7,9,11-16H2,(H,27,30);1H.
What are the key properties of 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride?
5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride has a molecular weight of 452.99 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-2-phenylpentanenitrile;hydrochloride is sourced from PubChem (CID 14881418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).