N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C23H24N4O3 — CID 37205010

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C23H24N4O3/c1-14-19(15(2)27(25-14)16-8-5-4-6-9-16)13-26(3)23(30)18-12-17-20(24-22(18)29)10-7-11-21(17)28/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,29)
InChIKeyGBVXAHLMWWYCDA-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.97
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 37205010) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID37205010
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C23H24N4O3/c1-14-19(15(2)27(25-14)16-8-5-4-6-9-16)13-26(3)23(30)18-12-17-20(24-22(18)29)10-7-11-21(17)28/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,29)
InChIKeyGBVXAHLMWWYCDA-UHFFFAOYSA-N
XLogP2.97
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 37205010) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is GBVXAHLMWWYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-19(15(2)27(25-14)16-8-5-4-6-9-16)13-26(3)23(30)18-12-17-20(24-22(18)29)10-7-11-21(17)28/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,29).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 37205010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).