N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide

C15H17ClN2O2 — CID 106155330

IUPACN-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
SMILESCOCC(CCCl)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-20-10-12(7-8-16)18-15(19)13-6-2-4-11-5-3-9-17-14(11)13/h2-6,9,12H,7-8,10H2,1H3,(H,18,19)
InChIKeyQJBMPNYGXXJRHC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.61
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide

N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide (PubChem CID 106155330) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
PubChem CID106155330
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
SMILESCOCC(CCCl)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-20-10-12(7-8-16)18-15(19)13-6-2-4-11-5-3-9-17-14(11)13/h2-6,9,12H,7-8,10H2,1H3,(H,18,19)
InChIKeyQJBMPNYGXXJRHC-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-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide (CID 106155330) is N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide is COCC(CCCl)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide?
The InChIKey is QJBMPNYGXXJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-10-12(7-8-16)18-15(19)13-6-2-4-11-5-3-9-17-14(11)13/h2-6,9,12H,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide?
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-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-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 106155330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).