2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide

C17H24N4O2 — CID 91909513

IUPAC2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC23CCCC=C2N(C)C(=O)CC3)n(C)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(21(3)19-12)16(23)18-11-17-8-5-4-6-14(17)20(2)15(22)7-9-17/h6,10H,4-5,7-9,11H2,1-3H3,(H,18,23)
InChIKeyUDUUCWINNCQHLY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.76
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91909513) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide
PubChem CID91909513
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC23CCCC=C2N(C)C(=O)CC3)n(C)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(21(3)19-12)16(23)18-11-17-8-5-4-6-14(17)20(2)15(22)7-9-17/h6,10H,4-5,7-9,11H2,1-3H3,(H,18,23)
InChIKeyUDUUCWINNCQHLY-UHFFFAOYSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide (CID 91909513) is 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC23CCCC=C2N(C)C(=O)CC3)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is UDUUCWINNCQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-13(21(3)19-12)16(23)18-11-17-8-5-4-6-14(17)20(2)15(22)7-9-17/h6,10H,4-5,7-9,11H2,1-3H3,(H,18,23).
What are the key properties of 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91909513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).