2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one

C21H17ClN4O3 — CID 143657357

IUPAC2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CC(N)=N2)C(=O)N(Cc2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C21H17ClN4O3/c1-28-18-9-7-14-19(25-18)21(10-17(23)24-14)13-4-2-3-5-15(13)26(20(21)27)11-12-6-8-16(22)29-12/h2-9H,10-11H2,1H3,(H2,23,24)
InChIKeyXWWBSNIPHYSXMC-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.56
Rot. Bonds3

About 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one

2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one (PubChem CID 143657357) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one.

Molecular Properties

Compound Name2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one
PubChem CID143657357
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CC(N)=N2)C(=O)N(Cc2ccc(Cl)o2)c2ccccc21
InChIInChI=1S/C21H17ClN4O3/c1-28-18-9-7-14-19(25-18)21(10-17(23)24-14)13-4-2-3-5-15(13)26(20(21)27)11-12-6-8-16(22)29-12/h2-9H,10-11H2,1H3,(H2,23,24)
InChIKeyXWWBSNIPHYSXMC-UHFFFAOYSA-N
XLogP3.56
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1'-[(5-chlorofuran-2-yl)methyl]-2-methoxyspiro[7H-1,6-naphthyridine-8,3'-indole]-2'-one
CID 143657350
1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinoline]-2'-one
CID 71103408
1'-[(5-chlorofuran-2-yl)methyl]-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,4'-3H-quinazoline]-2'-thione
CID 143657254
5-amino-1'-[(5-chlorothiophen-2-yl)methyl]-2-methoxyspiro[7H-1,6-naphthyridine-8,3'-indole]-2'-one
CID 89277809
6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352139
1'-[(5-methylfuran-2-yl)methyl]-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 58468033
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
1'-[(5-chlorofuran-2-yl)methyl]-4-methylidenespiro[6,7-dihydro-[1,3]dioxolo[4,5-f]indolizine-8,3'-indole]-2'-thione
CID 163418052
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
1'-[[5-(2-chlorophenyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263532
(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 102289299

Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one?
The IUPAC name of 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one (CID 143657357) is 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one.
What is the SMILES notation for 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one?
The canonical SMILES for 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one is COc1ccc2c(n1)C1(CC(N)=N2)C(=O)N(Cc2ccc(Cl)o2)c2ccccc21.
What is the InChIKey of 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one?
The InChIKey is XWWBSNIPHYSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-18-9-7-14-19(25-18)21(10-17(23)24-14)13-4-2-3-5-15(13)26(20(21)27)11-12-6-8-16(22)29-12/h2-9H,10-11H2,1H3,(H2,23,24).
What are the key properties of 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one?
2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one has a molecular weight of 408.85 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-[(5-chlorofuran-2-yl)methyl]-6-methoxyspiro[3H-1,5-naphthyridine-4,3'-indole]-2'-one is sourced from PubChem (CID 143657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).