5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide

C17H15ClN4O2 — CID 129417307

IUPAC5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H15ClN4O2/c18-11-1-3-13-9(5-11)7-15(20-13)17(24)19-12-2-4-14-10(6-12)8-16(23)22-21-14/h1,3,5,7-8,12,20H,2,4,6H2,(H,19,24)(H,22,23)/t12-/m0/s1
InChIKeyNGIXIALUNAWOKX-LBPRGKRZSA-N
MW342.79 g/mol
LogP2.19
Rot. Bonds2

About 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide

5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide (PubChem CID 129417307) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
PubChem CID129417307
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H15ClN4O2/c18-11-1-3-13-9(5-11)7-15(20-13)17(24)19-12-2-4-14-10(6-12)8-16(23)22-21-14/h1,3,5,7-8,12,20H,2,4,6H2,(H,19,24)(H,22,23)/t12-/m0/s1
InChIKeyNGIXIALUNAWOKX-LBPRGKRZSA-N
XLogP2.19
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417306
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
CID 91632637
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
CID 129417338
3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
CID 91632641
5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11625122
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
CID 169419552
N-[(2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopentyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68978823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide (CID 129417307) is 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide is O=C(N[C@H]1CCc2n[nH]c(=O)cc2C1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide?
The InChIKey is NGIXIALUNAWOKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-11-1-3-13-9(5-11)7-15(20-13)17(24)19-12-2-4-14-10(6-12)8-16(23)22-21-14/h1,3,5,7-8,12,20H,2,4,6H2,(H,19,24)(H,22,23)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 129417307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).