7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide

C21H17ClN2O3 — CID 22582863

IUPAC7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C21H17ClN2O3/c1-2-26-18-6-4-3-5-14(18)12-23-20(25)19-10-15-9-13-7-8-16(22)11-17(13)24-21(15)27-19/h3-11H,2,12H2,1H3,(H,23,25)
InChIKeyZESPHOOVUVNFHD-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.96
Rot. Bonds5

About 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide

7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide (PubChem CID 22582863) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
PubChem CID22582863
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C21H17ClN2O3/c1-2-26-18-6-4-3-5-14(18)12-23-20(25)19-10-15-9-13-7-8-16(22)11-17(13)24-21(15)27-19/h3-11H,2,12H2,1H3,(H,23,25)
InChIKeyZESPHOOVUVNFHD-UHFFFAOYSA-N
XLogP4.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[(2-methoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 15990860
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
6-methoxy-N-[(2-methoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide
CID 15990836
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
N-[(2,4-dimethoxyphenyl)methyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 15994887
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide
CID 3618281
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845732
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646
N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089639

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide (CID 22582863) is 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide is CCOc1ccccc1CNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1.
What is the InChIKey of 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide?
The InChIKey is ZESPHOOVUVNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-2-26-18-6-4-3-5-14(18)12-23-20(25)19-10-15-9-13-7-8-16(22)11-17(13)24-21(15)27-19/h3-11H,2,12H2,1H3,(H,23,25).
What are the key properties of 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide?
7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2-ethoxyphenyl)methyl]furo[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 22582863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).