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

C24H21ClN6O3S — CID 10239268

IUPAC5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESCCc1nnc(NC(=O)CN2C(=O)C(NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)s1
InChIInChI=1S/C24H21ClN6O3S/c1-2-21-29-30-24(35-21)28-20(32)12-31-19-6-4-3-5-13(19)10-18(23(31)34)27-22(33)17-11-14-9-15(25)7-8-16(14)26-17/h3-9,11,18,26H,2,10,12H2,1H3,(H,27,33)(H,28,30,32)
InChIKeyCNYCVIYIMPHDAJ-UHFFFAOYSA-N
MW508.99 g/mol
LogP3.56
Rot. Bonds6

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

5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10239268) has the molecular formula C24H21ClN6O3S and a molecular weight of 508.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10239268
Molecular FormulaC24H21ClN6O3S
Molecular Weight508.99 g/mol
Exact Mass508.11
IUPAC Name5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESCCc1nnc(NC(=O)CN2C(=O)C(NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)s1
InChIInChI=1S/C24H21ClN6O3S/c1-2-21-29-30-24(35-21)28-20(32)12-31-19-6-4-3-5-13(19)10-18(23(31)34)27-22(33)17-11-14-9-15(25)7-8-16(14)26-17/h3-9,11,18,26H,2,10,12H2,1H3,(H,27,33)(H,28,30,32)
InChIKeyCNYCVIYIMPHDAJ-UHFFFAOYSA-N
XLogP3.56
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.99
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10239268) is 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is CCc1nnc(NC(=O)CN2C(=O)C(NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)s1.
What is the InChIKey of 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is CNYCVIYIMPHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3S/c1-2-21-29-30-24(35-21)28-20(32)12-31-19-6-4-3-5-13(19)10-18(23(31)34)27-22(33)17-11-14-9-15(25)7-8-16(14)26-17/h3-9,11,18,26H,2,10,12H2,1H3,(H,27,33)(H,28,30,32).
What are the key properties of 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 508.99 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10239268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).