2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid

C20H16N4O4 — CID 155594102

IUPAC2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid
SMILESCOc1cccc(C(C(=O)O)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C20H16N4O4/c1-28-15-4-2-3-13(7-15)18(20(26)27)24-11-21-17-6-5-12(8-16(17)19(24)25)14-9-22-23-10-14/h2-11,18H,1H3,(H,22,23)(H,26,27)
InChIKeyBOTRCNJQERNUFM-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.47
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid

2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid (PubChem CID 155594102) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid
PubChem CID155594102
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid
SMILESCOc1cccc(C(C(=O)O)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1
InChIInChI=1S/C20H16N4O4/c1-28-15-4-2-3-13(7-15)18(20(26)27)24-11-21-17-6-5-12(8-16(17)19(24)25)14-9-22-23-10-14/h2-11,18H,1H3,(H,22,23)(H,26,27)
InChIKeyBOTRCNJQERNUFM-UHFFFAOYSA-N
XLogP2.47
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
CID 155594052
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
3-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594129
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
6-methoxy-4-(1H-pyrazol-4-yl)quinoline
CID 67260724
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
4-bromo-2-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 162696616
8-fluoro-3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594072
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
N-[(2,6-difluorophenyl)methyl]-4-[[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]methyl]benzamide
CID 155594116
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid?
The IUPAC name of 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid (CID 155594102) is 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid is COc1cccc(C(C(=O)O)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid?
The InChIKey is BOTRCNJQERNUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-28-15-4-2-3-13(7-15)18(20(26)27)24-11-21-17-6-5-12(8-16(17)19(24)25)14-9-22-23-10-14/h2-11,18H,1H3,(H,22,23)(H,26,27).
What are the key properties of 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid?
2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid has a molecular weight of 376.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]acetic acid is sourced from PubChem (CID 155594102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).