1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one

C21H17ClN2O4 — CID 71103408

IUPAC1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)CC(=O)N(Cc2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C21H17ClN2O4/c1-26-18-9-7-16-20(23-18)21(12-27-16)10-19(25)24(11-13-6-8-17(22)28-13)15-5-3-2-4-14(15)21/h2-9H,10-12H2,1H3
InChIKeyLJRXSYACQDMAGI-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.95
Rot. Bonds3

About 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one

1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one (PubChem CID 71103408) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one.

Molecular Properties

Compound Name1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one
PubChem CID71103408
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC Name1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)CC(=O)N(Cc2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C21H17ClN2O4/c1-26-18-9-7-16-20(23-18)21(12-27-16)10-19(25)24(11-13-6-8-17(22)28-13)15-5-3-2-4-14(15)21/h2-9H,10-12H2,1H3
InChIKeyLJRXSYACQDMAGI-UHFFFAOYSA-N
XLogP3.95
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one with MolForge

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Related Compounds

1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinazoline]-2'-thione
CID 143657254
2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one
CID 143657357
5-amino-1'-[(5-chlorofuran-2-yl)methyl]-2-methoxyspiro[7H-1,6-naphthyridine-8,3'-indole]-2'-one
CID 143657350
5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-pyrazolo[1,5-a]indole]
CID 71103676
10'-(2,3-dihydrofuran-2-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
CID 71103399
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]
CID 69164576
5-amino-1'-[(5-chlorothiophen-2-yl)methyl]-2-methoxyspiro[7H-1,6-naphthyridine-8,3'-indole]-2'-one
CID 89277809
5,6-difluoro-1'-pentylspiro[2H-1-benzofuran-3,4'-3H-quinoline]-2'-one
CID 25225935
1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 58468033
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352139
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one?
The IUPAC name of 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one (CID 71103408) is 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one.
What is the SMILES notation for 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one?
The canonical SMILES for 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one is COc1ccc2c(n1)C1(CO2)CC(=O)N(Cc2ccc(Cl)o2)c2ccccc21.
What is the InChIKey of 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one?
The InChIKey is LJRXSYACQDMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c1-26-18-9-7-16-20(23-18)21(12-27-16)10-19(25)24(11-13-6-8-17(22)28-13)15-5-3-2-4-14(15)21/h2-9H,10-12H2,1H3.
What are the key properties of 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one?
1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one has a molecular weight of 396.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one is sourced from PubChem (CID 71103408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).