N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide

C14H15ClN2O2 — CID 114298870

IUPACN-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c1-19-9-11(15)8-16-14(18)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,18)
InChIKeyASTULQIXLWFVQA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.22
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide

N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide (PubChem CID 114298870) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
PubChem CID114298870
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H15ClN2O2/c1-19-9-11(15)8-16-14(18)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,18)
InChIKeyASTULQIXLWFVQA-UHFFFAOYSA-N
XLogP2.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.22
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-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide (CID 114298870) is N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide is COCC(Cl)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide?
The InChIKey is ASTULQIXLWFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-9-11(15)8-16-14(18)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide?
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide is sourced from PubChem (CID 114298870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).