N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane

C18H23BrN2O — CID 144956349

IUPACN-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane
SMILESCC(=O)N(C)c1cnc2ccc(Br)cc2c1C.CC1CCC1
InChIInChI=1S/C13H13BrN2O.C5H10/c1-8-11-6-10(14)4-5-12(11)15-7-13(8)16(3)9(2)17;1-5-3-2-4-5/h4-7H,1-3H3;5H,2-4H2,1H3
InChIKeyDIANTRVFIJTPAO-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.09
Rot. Bonds1

About N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane

N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane (PubChem CID 144956349) has the molecular formula C18H23BrN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane.

Molecular Properties

Compound NameN-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane
PubChem CID144956349
Molecular FormulaC18H23BrN2O
Molecular Weight363.30 g/mol
Exact Mass362.10
IUPAC NameN-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane
SMILESCC(=O)N(C)c1cnc2ccc(Br)cc2c1C.CC1CCC1
InChIInChI=1S/C13H13BrN2O.C5H10/c1-8-11-6-10(14)4-5-12(11)15-7-13(8)16(3)9(2)17;1-5-3-2-4-5/h4-7H,1-3H3;5H,2-4H2,1H3
InChIKeyDIANTRVFIJTPAO-UHFFFAOYSA-N
XLogP5.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
CID 144956361
4-amino-6-bromoquinoline-3-carboxylic acid;methoxycyclopentane
CID 145305834
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
6-bromo-4-(3-methylcyclohexyl)sulfanylquinolin-3-amine
CID 63538058
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
6-bromo-4-methylquinoline-3-thiol;methanamine
CID 155715613
3-bromo-5-methylquinolin-6-ol
CID 170127970
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane?
The IUPAC name of N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane (CID 144956349) is N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane.
What is the SMILES notation for N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane?
The canonical SMILES for N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane is CC(=O)N(C)c1cnc2ccc(Br)cc2c1C.CC1CCC1.
What is the InChIKey of N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane?
The InChIKey is DIANTRVFIJTPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O.C5H10/c1-8-11-6-10(14)4-5-12(11)15-7-13(8)16(3)9(2)17;1-5-3-2-4-5/h4-7H,1-3H3;5H,2-4H2,1H3.
What are the key properties of N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane?
N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane has a molecular weight of 363.30 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane is sourced from PubChem (CID 144956349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).