N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C20H18N4O3 — CID 53132469

IUPACN-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCCO)cc43)c2=O)cc1
InChIInChI=1S/C20H18N4O3/c1-12-2-5-14(6-3-12)24-20(27)16-11-22-17-7-4-13(19(26)21-8-9-25)10-15(17)18(16)23-24/h2-7,10-11,23,25H,8-9H2,1H3,(H,21,26)
InChIKeyNBGFZDPFRBAYIE-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.90
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132469) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132469
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCCO)cc43)c2=O)cc1
InChIInChI=1S/C20H18N4O3/c1-12-2-5-14(6-3-12)24-20(27)16-11-22-17-7-4-13(19(26)21-8-9-25)10-15(17)18(16)23-24/h2-7,10-11,23,25H,8-9H2,1H3,(H,21,26)
InChIKeyNBGFZDPFRBAYIE-UHFFFAOYSA-N
XLogP1.90
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132469) is N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NCCO)cc43)c2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is NBGFZDPFRBAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-2-5-14(6-3-12)24-20(27)16-11-22-17-7-4-13(19(26)21-8-9-25)10-15(17)18(16)23-24/h2-7,10-11,23,25H,8-9H2,1H3,(H,21,26).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).