ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate

C21H17N3O4 — CID 66675263

IUPACethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2c[nH]c3ccccc3c2=O)ccc2cc[nH]c12
InChIInChI=1S/C21H17N3O4/c1-2-28-21(27)17-16(8-7-12-9-10-22-18(12)17)24-20(26)14-11-23-15-6-4-3-5-13(15)19(14)25/h3-11,22H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyRZOYAUGDNMPWOK-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.44
Rot. Bonds4

About ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate

ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate (PubChem CID 66675263) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate
PubChem CID66675263
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Nameethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2c[nH]c3ccccc3c2=O)ccc2cc[nH]c12
InChIInChI=1S/C21H17N3O4/c1-2-28-21(27)17-16(8-7-12-9-10-22-18(12)17)24-20(26)14-11-23-15-6-4-3-5-13(15)19(14)25/h3-11,22H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyRZOYAUGDNMPWOK-UHFFFAOYSA-N
XLogP3.44
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate?
The IUPAC name of ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate (CID 66675263) is ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate.
What is the SMILES notation for ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate?
The canonical SMILES for ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate is CCOC(=O)c1c(NC(=O)c2c[nH]c3ccccc3c2=O)ccc2cc[nH]c12.
What is the InChIKey of ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate?
The InChIKey is RZOYAUGDNMPWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-2-28-21(27)17-16(8-7-12-9-10-22-18(12)17)24-20(26)14-11-23-15-6-4-3-5-13(15)19(14)25/h3-11,22H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate?
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-7-carboxylate is sourced from PubChem (CID 66675263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).