N-(2-bromobutyl)quinoline-4-carboxamide

C14H15BrN2O — CID 113492901

IUPACN-(2-bromobutyl)quinoline-4-carboxamide
SMILESCCC(Br)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-2-10(15)9-17-14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyCDLHRRNWLZYIMS-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds4

About N-(2-bromobutyl)quinoline-4-carboxamide

N-(2-bromobutyl)quinoline-4-carboxamide (PubChem CID 113492901) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(2-bromobutyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromobutyl)quinoline-4-carboxamide
PubChem CID113492901
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(2-bromobutyl)quinoline-4-carboxamide
SMILESCCC(Br)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-2-10(15)9-17-14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,17,18)
InChIKeyCDLHRRNWLZYIMS-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222
N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobutyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromobutyl)quinoline-4-carboxamide (CID 113492901) is N-(2-bromobutyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromobutyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromobutyl)quinoline-4-carboxamide is CCC(Br)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-bromobutyl)quinoline-4-carboxamide?
The InChIKey is CDLHRRNWLZYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-10(15)9-17-14(18)12-7-8-16-13-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3,(H,17,18).
What are the key properties of N-(2-bromobutyl)quinoline-4-carboxamide?
N-(2-bromobutyl)quinoline-4-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobutyl)quinoline-4-carboxamide is sourced from PubChem (CID 113492901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).