N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide

C18H18N4O — CID 38815166

IUPACN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
SMILESCn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-22-17-8-4-7-15(13(17)11-19-22)21-18(23)16-10-9-12-5-2-3-6-14(12)20-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFUOTYJNVHZJPFY-HNNXBMFYSA-N
MW306.37 g/mol
LogP2.78
Rot. Bonds2

About N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide (PubChem CID 38815166) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
PubChem CID38815166
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
SMILESCn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-22-17-8-4-7-15(13(17)11-19-22)21-18(23)16-10-9-12-5-2-3-6-14(12)20-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFUOTYJNVHZJPFY-HNNXBMFYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 62233294
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide (CID 38815166) is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide is Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide?
The InChIKey is FUOTYJNVHZJPFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-17-8-4-7-15(13(17)11-19-22)21-18(23)16-10-9-12-5-2-3-6-14(12)20-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide?
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 38815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).