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

C20H21N3O2 — CID 848146

IUPAC3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCOc1cc(O)ccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C20H21N3O2/c1-11-7-12(2)19-16(8-11)17-9-13(3)22-23(17)20(21-19)15-6-5-14(24)10-18(15)25-4/h5-10,20-21,24H,1-4H3/t20-/m0/s1
InChIKeyWRLGZLUXEPUYJG-FQEVSTJZSA-N
MW335.41 g/mol
LogP4.16
Rot. Bonds2

About 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 848146) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID848146
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCOc1cc(O)ccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C20H21N3O2/c1-11-7-12(2)19-16(8-11)17-9-13(3)22-23(17)20(21-19)15-6-5-14(24)10-18(15)25-4/h5-10,20-21,24H,1-4H3/t20-/m0/s1
InChIKeyWRLGZLUXEPUYJG-FQEVSTJZSA-N
XLogP4.16
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol with MolForge

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Related Compounds

2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877852
3-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
CID 3158716
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
CID 1095748
methyl 4-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzoate
CID 848145
2-ethoxy-4-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
CID 3158711
(5S)-2,7,9-trimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135689931
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
CID 3878015
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 848146) is 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is COc1cc(O)ccc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21.
What is the InChIKey of 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is WRLGZLUXEPUYJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11-7-12(2)19-16(8-11)17-9-13(3)22-23(17)20(21-19)15-6-5-14(24)10-18(15)25-4/h5-10,20-21,24H,1-4H3/t20-/m0/s1.
What are the key properties of 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 848146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).