2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H22N4O2 — CID 139008161

IUPAC2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NC1CCCc3[nH]c(=O)ccc31)CCCC2
InChIInChI=1S/C18H22N4O2/c1-22-17(12-5-2-3-6-15(12)21-22)18(24)20-14-8-4-7-13-11(14)9-10-16(23)19-13/h9-10,14H,2-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyXPYYYLVRGIIXPU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 139008161) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID139008161
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NC1CCCc3[nH]c(=O)ccc31)CCCC2
InChIInChI=1S/C18H22N4O2/c1-22-17(12-5-2-3-6-15(12)21-22)18(24)20-14-8-4-7-13-11(14)9-10-16(23)19-13/h9-10,14H,2-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyXPYYYLVRGIIXPU-UHFFFAOYSA-N
XLogP1.79
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

1-tert-butyl-3,5-dimethyl-N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]pyrazole-4-carboxamide
CID 94649400
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555731
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555730
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 56811120
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125179947
1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione
CID 81108587
1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione
CID 81107463
4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]benzamide
CID 81108990
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 139008161) is 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc2c(c1C(=O)NC1CCCc3[nH]c(=O)ccc31)CCCC2.
What is the InChIKey of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is XPYYYLVRGIIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22-17(12-5-2-3-6-15(12)21-22)18(24)20-14-8-4-7-13-11(14)9-10-16(23)19-13/h9-10,14H,2-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 139008161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).