2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide

C16H13ClN2O2 — CID 18290744

IUPAC2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2O2/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChIKeyBEVXMKJRFNQJTJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide

2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide (PubChem CID 18290744) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
PubChem CID18290744
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2O2/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChIKeyBEVXMKJRFNQJTJ-UHFFFAOYSA-N
XLogP3.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide (CID 18290744) is 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide is CN(Cc1ccco1)C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide?
The InChIKey is BEVXMKJRFNQJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide?
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 18290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).