N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide

C17H19BrN2O — CID 114314027

IUPACN-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1cccc2cccnc12
InChIInChI=1S/C17H19BrN2O/c18-12-17(9-2-1-3-10-17)20-16(21)14-8-4-6-13-7-5-11-19-15(13)14/h4-8,11H,1-3,9-10,12H2,(H,20,21)
InChIKeyDRSQVLURANWNIP-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide

N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide (PubChem CID 114314027) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
PubChem CID114314027
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1cccc2cccnc12
InChIInChI=1S/C17H19BrN2O/c18-12-17(9-2-1-3-10-17)20-16(21)14-8-4-6-13-7-5-11-19-15(13)14/h4-8,11H,1-3,9-10,12H2,(H,20,21)
InChIKeyDRSQVLURANWNIP-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.06
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-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 106300490
N-[1-(chloromethyl)cyclohexyl]quinoxaline-5-carboxamide
CID 104615746
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[1-(bromomethyl)cyclohexyl]-2-methylsulfanylbenzamide
CID 114313986
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
CID 63614286

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide (CID 114314027) is N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide is O=C(NC1(CBr)CCCCC1)c1cccc2cccnc12.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide?
The InChIKey is DRSQVLURANWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-12-17(9-2-1-3-10-17)20-16(21)14-8-4-6-13-7-5-11-19-15(13)14/h4-8,11H,1-3,9-10,12H2,(H,20,21).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide?
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide is sourced from PubChem (CID 114314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).