N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide

C15H17ClN2O2 — CID 106244397

IUPACN-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17ClN2O2/c1-20-10-11(16)6-8-18-15(19)13-7-9-17-14-5-3-2-4-12(13)14/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,19)
InChIKeyIXNLHJBSYRSTST-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.61
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide

N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide (PubChem CID 106244397) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
PubChem CID106244397
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H17ClN2O2/c1-20-10-11(16)6-8-18-15(19)13-7-9-17-14-5-3-2-4-12(13)14/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,19)
InChIKeyIXNLHJBSYRSTST-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide (CID 106244397) is N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide is COCC(Cl)CCNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide?
The InChIKey is IXNLHJBSYRSTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-10-11(16)6-8-18-15(19)13-7-9-17-14-5-3-2-4-12(13)14/h2-5,7,9,11H,6,8,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide?
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide is sourced from PubChem (CID 106244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).