N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide

C27H30N4O2 — CID 44758914

IUPACN-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C27H30N4O2/c32-26(30-15-17-31(18-16-30)27(33)28-21-11-5-2-6-12-21)23-19-25(20-9-3-1-4-10-20)29-24-14-8-7-13-22(23)24/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-18H2,(H,28,33)
InChIKeyKTCMLGQKZOGXSH-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.70
Rot. Bonds3

About N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide (PubChem CID 44758914) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
PubChem CID44758914
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C27H30N4O2/c32-26(30-15-17-31(18-16-30)27(33)28-21-11-5-2-6-12-21)23-19-25(20-9-3-1-4-10-20)29-24-14-8-7-13-22(23)24/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-18H2,(H,28,33)
InChIKeyKTCMLGQKZOGXSH-UHFFFAOYSA-N
XLogP4.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide (CID 44758914) is N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide?
The InChIKey is KTCMLGQKZOGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26(30-15-17-31(18-16-30)27(33)28-21-11-5-2-6-12-21)23-19-25(20-9-3-1-4-10-20)29-24-14-8-7-13-22(23)24/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-18H2,(H,28,33).
What are the key properties of N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 44758914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).