3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide

C18H13Cl2N3O2 — CID 55911404

IUPAC3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)ccc2N1
InChIInChI=1S/C18H13Cl2N3O2/c19-10-2-4-14-12(8-10)16(20)17(23-14)18(25)21-11-3-5-13-9(7-11)1-6-15(24)22-13/h2-5,7-8,23H,1,6H2,(H,21,25)(H,22,24)
InChIKeyWXVKIXVVWCXRDC-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.61
Rot. Bonds2

About 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide

3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide (PubChem CID 55911404) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
PubChem CID55911404
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)ccc2N1
InChIInChI=1S/C18H13Cl2N3O2/c19-10-2-4-14-12(8-10)16(20)17(23-14)18(25)21-11-3-5-13-9(7-11)1-6-15(24)22-13/h2-5,7-8,23H,1,6H2,(H,21,25)(H,22,24)
InChIKeyWXVKIXVVWCXRDC-UHFFFAOYSA-N
XLogP4.61
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide (CID 55911404) is 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide is O=C1CCc2cc(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)ccc2N1.
What is the InChIKey of 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide?
The InChIKey is WXVKIXVVWCXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-10-2-4-14-12(8-10)16(20)17(23-14)18(25)21-11-3-5-13-9(7-11)1-6-15(24)22-13/h2-5,7-8,23H,1,6H2,(H,21,25)(H,22,24).
What are the key properties of 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide?
3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55911404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).