4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide

C20H17ClN2O3S — CID 46256182

IUPAC4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C20H17ClN2O3S/c1-25-10-8-23(12-13-5-4-9-26-13)20(24)17-11-15-18(27-17)14-6-2-3-7-16(14)22-19(15)21/h2-7,9,11H,8,10,12H2,1H3
InChIKeyYWHWTLAORUBDIF-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.98
Rot. Bonds6

About 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256182) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256182
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C20H17ClN2O3S/c1-25-10-8-23(12-13-5-4-9-26-13)20(24)17-11-15-18(27-17)14-6-2-3-7-16(14)22-19(15)21/h2-7,9,11H,8,10,12H2,1H3
InChIKeyYWHWTLAORUBDIF-UHFFFAOYSA-N
XLogP4.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257034
N-butyl-4-chloro-N-(furan-2-ylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257036
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55614946
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134059712
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5055169
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865433
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 42773017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 46256182) is 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide is COCCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is YWHWTLAORUBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-25-10-8-23(12-13-5-4-9-26-13)20(24)17-11-15-18(27-17)14-6-2-3-7-16(14)22-19(15)21/h2-7,9,11H,8,10,12H2,1H3.
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).