N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide

C14H15BrN2O — CID 104555996

IUPACN-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(CBr)N(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-10(9-15)17(2)14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3
InChIKeyKBRFSGJAJRXYRZ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.09
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide

N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide (PubChem CID 104555996) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
PubChem CID104555996
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(CBr)N(C)C(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-10(9-15)17(2)14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3
InChIKeyKBRFSGJAJRXYRZ-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-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
CID 104615787
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
CID 116651974
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide (CID 104555996) is N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide is CC(CBr)N(C)C(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide?
The InChIKey is KBRFSGJAJRXYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(9-15)17(2)14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide?
N-(1-bromopropan-2-yl)-N-methylquinoline-4-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-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 104555996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).