N-(2-bromopropyl)-N-methylquinoline-2-carboxamide

C14H15BrN2O — CID 80665612

IUPACN-(2-bromopropyl)-N-methylquinoline-2-carboxamide
SMILESCC(Br)CN(C)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15BrN2O/c1-10(15)9-17(2)14(18)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10H,9H2,1-2H3
InChIKeySFFYFJAPDCCZFV-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.09
Rot. Bonds3

About N-(2-bromopropyl)-N-methylquinoline-2-carboxamide

N-(2-bromopropyl)-N-methylquinoline-2-carboxamide (PubChem CID 80665612) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylquinoline-2-carboxamide
PubChem CID80665612
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(2-bromopropyl)-N-methylquinoline-2-carboxamide
SMILESCC(Br)CN(C)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15BrN2O/c1-10(15)9-17(2)14(18)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10H,9H2,1-2H3
InChIKeySFFYFJAPDCCZFV-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
CID 71885341
N-(2-bromoethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491794
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
CID 77093849
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
N-[2-(2-methoxyphenoxy)ethyl]-N-methylquinoline-2-carboxamide
CID 60537120
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of N-(2-bromopropyl)-N-methylquinoline-2-carboxamide (CID 80665612) is N-(2-bromopropyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylquinoline-2-carboxamide is CC(Br)CN(C)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-bromopropyl)-N-methylquinoline-2-carboxamide?
The InChIKey is SFFYFJAPDCCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(15)9-17(2)14(18)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10H,9H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methylquinoline-2-carboxamide?
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 80665612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).