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

C23H19ClN6O3S — CID 10128208

IUPAC5-chloro-N-[1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESCc1nnc(NC(=O)CN2C(=O)C(NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)s1
InChIInChI=1S/C23H19ClN6O3S/c1-12-28-29-23(34-12)27-20(31)11-30-19-5-3-2-4-13(19)9-18(22(30)33)26-21(32)17-10-14-8-15(24)6-7-16(14)25-17/h2-8,10,18,25H,9,11H2,1H3,(H,26,32)(H,27,29,31)
InChIKeyGXBOYUGMKFAKTP-UHFFFAOYSA-N
MW494.96 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-[1-[2-[(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10128208) has the molecular formula C23H19ClN6O3S and a molecular weight of 494.96 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10128208
Molecular FormulaC23H19ClN6O3S
Molecular Weight494.96 g/mol
Exact Mass494.09
IUPAC Name5-chloro-N-[1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESCc1nnc(NC(=O)CN2C(=O)C(NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)s1
InChIInChI=1S/C23H19ClN6O3S/c1-12-28-29-23(34-12)27-20(31)11-30-19-5-3-2-4-13(19)9-18(22(30)33)26-21(32)17-10-14-8-15(24)6-7-16(14)25-17/h2-8,10,18,25H,9,11H2,1H3,(H,26,32)(H,27,29,31)
InChIKeyGXBOYUGMKFAKTP-UHFFFAOYSA-N
XLogP3.31
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[1-[2-[(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10128208) is 5-chloro-N-[1-[2-[(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is Cc1nnc(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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is GXBOYUGMKFAKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3S/c1-12-28-29-23(34-12)27-20(31)11-30-19-5-3-2-4-13(19)9-18(22(30)33)26-21(32)17-10-14-8-15(24)6-7-16(14)25-17/h2-8,10,18,25H,9,11H2,1H3,(H,26,32)(H,27,29,31).
What are the key properties of 5-chloro-N-[1-[2-[(5-methyl-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-methyl-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 494.96 g/mol, XLogP of 3.31, 5 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-methyl-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 10128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).