5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C22H17ClN6O3S — CID 10288845

IUPAC5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1nncs1
InChIInChI=1S/C22H17ClN6O3S/c23-14-5-6-15-13(7-14)9-16(25-15)20(31)26-17-8-12-3-1-2-4-18(12)29(21(17)32)10-19(30)27-22-28-24-11-33-22/h1-7,9,11,17,25H,8,10H2,(H,26,31)(H,27,28,30)
InChIKeyNFDXXHWOBZSXER-UHFFFAOYSA-N
MW480.94 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10288845) has the molecular formula C22H17ClN6O3S and a molecular weight of 480.94 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10288845
Molecular FormulaC22H17ClN6O3S
Molecular Weight480.94 g/mol
Exact Mass480.08
IUPAC Name5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1nncs1
InChIInChI=1S/C22H17ClN6O3S/c23-14-5-6-15-13(7-14)9-16(25-15)20(31)26-17-8-12-3-1-2-4-18(12)29(21(17)32)10-19(30)27-22-28-24-11-33-22/h1-7,9,11,17,25H,8,10H2,(H,26,31)(H,27,28,30)
InChIKeyNFDXXHWOBZSXER-UHFFFAOYSA-N
XLogP3.00
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.94
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10288845) is 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1nncs1.
What is the InChIKey of 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is NFDXXHWOBZSXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O3S/c23-14-5-6-15-13(7-14)9-16(25-15)20(31)26-17-8-12-3-1-2-4-18(12)29(21(17)32)10-19(30)27-22-28-24-11-33-22/h1-7,9,11,17,25H,8,10H2,(H,26,31)(H,27,28,30).
What are the key properties of 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 480.94 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10288845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).