N-(2-bromoethyl)-N-propylquinoline-8-carboxamide

C15H17BrN2O — CID 80660904

IUPACN-(2-bromoethyl)-N-propylquinoline-8-carboxamide
SMILESCCCN(CCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H17BrN2O/c1-2-10-18(11-8-16)15(19)13-7-3-5-12-6-4-9-17-14(12)13/h3-7,9H,2,8,10-11H2,1H3
InChIKeyHVWKEFHNPMLWEC-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.48
Rot. Bonds5

About N-(2-bromoethyl)-N-propylquinoline-8-carboxamide

N-(2-bromoethyl)-N-propylquinoline-8-carboxamide (PubChem CID 80660904) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propylquinoline-8-carboxamide
PubChem CID80660904
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-(2-bromoethyl)-N-propylquinoline-8-carboxamide
SMILESCCCN(CCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H17BrN2O/c1-2-10-18(11-8-16)15(19)13-7-3-5-12-6-4-9-17-14(12)13/h3-7,9H,2,8,10-11H2,1H3
InChIKeyHVWKEFHNPMLWEC-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.48
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-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-(2-bromoethyl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 80666480
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
CID 107433551
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
CID 62818606
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propylquinoline-8-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-propylquinoline-8-carboxamide (CID 80660904) is N-(2-bromoethyl)-N-propylquinoline-8-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propylquinoline-8-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-propylquinoline-8-carboxamide is CCCN(CCBr)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-bromoethyl)-N-propylquinoline-8-carboxamide?
The InChIKey is HVWKEFHNPMLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-10-18(11-8-16)15(19)13-7-3-5-12-6-4-9-17-14(12)13/h3-7,9H,2,8,10-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-propylquinoline-8-carboxamide?
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propylquinoline-8-carboxamide is sourced from PubChem (CID 80660904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).