N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide

C18H24N4O — CID 113104125

IUPACN-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C18H24N4O/c1-14(2)13-20-18(23)22-11-9-21(10-12-22)16-7-3-5-15-6-4-8-19-17(15)16/h3-8,14H,9-13H2,1-2H3,(H,20,23)
InChIKeyVVIPOVNCUQSAEJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.72
Rot. Bonds3

About N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide

N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113104125) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113104125
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C18H24N4O/c1-14(2)13-20-18(23)22-11-9-21(10-12-22)16-7-3-5-15-6-4-8-19-17(15)16/h3-8,14H,9-13H2,1-2H3,(H,20,23)
InChIKeyVVIPOVNCUQSAEJ-UHFFFAOYSA-N
XLogP2.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113104125) is N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is VVIPOVNCUQSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)13-20-18(23)22-11-9-21(10-12-22)16-7-3-5-15-6-4-8-19-17(15)16/h3-8,14H,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).