N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide

C21H18N4O3 — CID 2449863

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O3/c1-13-19(21(28)25(24(13)2)14-8-4-3-5-9-14)23-20(27)16-12-18(26)22-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,26)(H,23,27)
InChIKeyFDHOTQNJMPGSBD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.58
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2449863) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2449863
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O3/c1-13-19(21(28)25(24(13)2)14-8-4-3-5-9-14)23-20(27)16-12-18(26)22-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,26)(H,23,27)
InChIKeyFDHOTQNJMPGSBD-UHFFFAOYSA-N
XLogP2.58
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 2449863) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide is Cc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FDHOTQNJMPGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-19(21(28)25(24(13)2)14-8-4-3-5-9-14)23-20(27)16-12-18(26)22-17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2449863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).