2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

C21H23N3O2 — CID 3158711

IUPAC2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCCOc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C21H23N3O2/c1-5-26-19-11-15(6-7-18(19)25)21-22-20-13(3)8-12(2)9-16(20)17-10-14(4)23-24(17)21/h6-11,21-22,25H,5H2,1-4H3
InChIKeyBQTMFZDCWAPBEB-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.55
Rot. Bonds3

About 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (PubChem CID 3158711) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
PubChem CID3158711
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCCOc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C21H23N3O2/c1-5-26-19-11-15(6-7-18(19)25)21-22-20-13(3)8-12(2)9-16(20)17-10-14(4)23-24(17)21/h6-11,21-22,25H,5H2,1-4H3
InChIKeyBQTMFZDCWAPBEB-UHFFFAOYSA-N
XLogP4.55
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethoxy-6-{2-methyl-5H,6H-pyrazolo[1,5-C]quinazolin-5-YL}phenol
CID 3158660
5-Benzo[1,3]dioxol-5-yl-2,7-dimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 644653
5-Benzo[1,3]dioxol-5-yl-2,7,9-trimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 648825
5-Benzo[1,3]dioxol-5-yl-2,9-dimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 652264
5-(3,4-Dimethoxyphenyl)-2-methyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158645
2-Methoxy-4-(9-methyl(5,6,7-trihydropyrazolo[1,5-c]quinazolin-6-yl))phenol
CID 3158653
2,6-Dimethoxy-4-{2,7,9-trimethyl-5H,6H-pyrazolo[1,5-C]quinazolin-5-YL}phenol
CID 3158724
5-(2,5-Dimethoxyphenyl)-2,7,9-trimethyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 5182047
5-Benzo[1,3]dioxol-5-yl-2-methyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 647737
5-(4-Ethoxyphenyl)-2,7-dimethyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158746
2,7-Dimethyl-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158758
5-[[(1,3-Dimethylindazol-6-yl)amino]methyl]-2-methoxyphenol
CID 172470783

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The IUPAC name of 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (CID 3158711) is 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.
What is the SMILES notation for 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The canonical SMILES for 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is CCOc1cc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O.
What is the InChIKey of 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The InChIKey is BQTMFZDCWAPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-26-19-11-15(6-7-18(19)25)21-22-20-13(3)8-12(2)9-16(20)17-10-14(4)23-24(17)21/h6-11,21-22,25H,5H2,1-4H3.
What are the key properties of 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol has a molecular weight of 349.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is sourced from PubChem (CID 3158711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).