N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide

C18H21ClN2O — CID 166882379

IUPACN-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide
SMILESCC(C)Cc1ccc2cc(Cl)c(NC(=O)C3CCC3)nc2c1
InChIInChI=1S/C18H21ClN2O/c1-11(2)8-12-6-7-14-10-15(19)17(20-16(14)9-12)21-18(22)13-4-3-5-13/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,20,21,22)
InChIKeyHFPMTSWOGQBPOB-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.83
Rot. Bonds4

About N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide

N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide (PubChem CID 166882379) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide
PubChem CID166882379
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide
SMILESCC(C)Cc1ccc2cc(Cl)c(NC(=O)C3CCC3)nc2c1
InChIInChI=1S/C18H21ClN2O/c1-11(2)8-12-6-7-14-10-15(19)17(20-16(14)9-12)21-18(22)13-4-3-5-13/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,20,21,22)
InChIKeyHFPMTSWOGQBPOB-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(2,2-dimethylpropyl)quinolin-2-yl]cyclobutanecarboxamide
CID 155185001
N-(3-chloro-7-ethyl-7-methylcyclohepta[b]pyridin-2-yl)cyclobutanecarboxamide
CID 155705524
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
CID 177346635
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
CID 94272830
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43007222
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide (CID 166882379) is N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide is CC(C)Cc1ccc2cc(Cl)c(NC(=O)C3CCC3)nc2c1.
What is the InChIKey of N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide?
The InChIKey is HFPMTSWOGQBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-11(2)8-12-6-7-14-10-15(19)17(20-16(14)9-12)21-18(22)13-4-3-5-13/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide?
N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide has a molecular weight of 316.83 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-7-(2-methylpropyl)quinolin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 166882379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).