4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol

C20H21N3O2 — CID 4546081

IUPAC4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C20H21N3O2/c1-4-25-19-11-14(6-8-18(19)24)20-21-16-7-5-12(2)9-15(16)17-10-13(3)22-23(17)20/h5-11,20-21,24H,4H2,1-3H3
InChIKeyUIBGUOYUIMVTSY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.24
Rot. Bonds3

About 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol

4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol (PubChem CID 4546081) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
PubChem CID4546081
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C20H21N3O2/c1-4-25-19-11-14(6-8-18(19)24)20-21-16-7-5-12(2)9-15(16)17-10-13(3)22-23(17)20/h5-11,20-21,24H,4H2,1-3H3
InChIKeyUIBGUOYUIMVTSY-UHFFFAOYSA-N
XLogP4.24
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol with MolForge

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Related Compounds

2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
CID 3158711
5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158691
4-bromo-2-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982265
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5173334
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
5-(furan-2-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3556244
2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5043160
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545

Frequently Asked Questions

What is the IUPAC name of 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol?
The IUPAC name of 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol (CID 4546081) is 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol is CCOc1cc(C2Nc3ccc(C)cc3-c3cc(C)nn32)ccc1O.
What is the InChIKey of 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol?
The InChIKey is UIBGUOYUIMVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-25-19-11-14(6-8-18(19)24)20-21-16-7-5-12(2)9-15(16)17-10-13(3)22-23(17)20/h5-11,20-21,24H,4H2,1-3H3.
What are the key properties of 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol?
4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol has a molecular weight of 335.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol is sourced from PubChem (CID 4546081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).