N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide

C16H19BrN2O — CID 80662580

IUPACN-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
SMILESCC(C)N(CCCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H19BrN2O/c1-12(2)19(11-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyMQSSNSJDYBBNJJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.87
Rot. Bonds5

About N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide

N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide (PubChem CID 80662580) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
PubChem CID80662580
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
SMILESCC(C)N(CCCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H19BrN2O/c1-12(2)19(11-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10,12H,5,9,11H2,1-2H3
InChIKeyMQSSNSJDYBBNJJ-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.87
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-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(3-bromopropyl)-2-nitro-N-propan-2-ylbenzamide
CID 80662381
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide (CID 80662580) is N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide is CC(C)N(CCCBr)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide?
The InChIKey is MQSSNSJDYBBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(2)19(11-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10,12H,5,9,11H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide?
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide is sourced from PubChem (CID 80662580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).