6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide

C20H18ClN3O4 — CID 167845626

IUPAC6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide
SMILESO=C1CC(O)(C(=O)NCCN2C(=O)Cc3ccccc32)c2cc(Cl)ccc2N1
InChIInChI=1S/C20H18ClN3O4/c21-13-5-6-15-14(10-13)20(28,11-17(25)23-15)19(27)22-7-8-24-16-4-2-1-3-12(16)9-18(24)26/h1-6,10,28H,7-9,11H2,(H,22,27)(H,23,25)
InChIKeyDASOTQGVNLKSDW-UHFFFAOYSA-N
MW399.83 g/mol
LogP1.58
Rot. Bonds4

About 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide

6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide (PubChem CID 167845626) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide
PubChem CID167845626
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide
SMILESO=C1CC(O)(C(=O)NCCN2C(=O)Cc3ccccc32)c2cc(Cl)ccc2N1
InChIInChI=1S/C20H18ClN3O4/c21-13-5-6-15-14(10-13)20(28,11-17(25)23-15)19(27)22-7-8-24-16-4-2-1-3-12(16)9-18(24)26/h1-6,10,28H,7-9,11H2,(H,22,27)(H,23,25)
InChIKeyDASOTQGVNLKSDW-UHFFFAOYSA-N
XLogP1.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide with MolForge

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Related Compounds

4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730041
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730047
2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730048
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine;hydroiodide
CID 119129873
1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 126769243
1-[(3-chlorophenyl)methyl]-2-methyl-3-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine;hydroiodide
CID 119130536
3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
CID 110730062
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
1-(5-bromopentyl)-3H-indol-2-one;1,3-dihydroindol-2-one
CID 67760765
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide (CID 167845626) is 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide is O=C1CC(O)(C(=O)NCCN2C(=O)Cc3ccccc32)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide?
The InChIKey is DASOTQGVNLKSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c21-13-5-6-15-14(10-13)20(28,11-17(25)23-15)19(27)22-7-8-24-16-4-2-1-3-12(16)9-18(24)26/h1-6,10,28H,7-9,11H2,(H,22,27)(H,23,25).
What are the key properties of 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide?
6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 167845626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).