4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol

C20H21N3O3 — CID 135726011

IUPAC4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc(OC)c1O
InChIInChI=1S/C20H21N3O3/c1-11-6-5-7-14-15-8-12(2)22-23(15)20(21-18(11)14)13-9-16(25-3)19(24)17(10-13)26-4/h5-10,20-21,24H,1-4H3/t20-/m1/s1
InChIKeyYQZUQNYUYYFDEN-HXUWFJFHSA-N
MW351.41 g/mol
LogP3.86
Rot. Bonds3

About 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol

4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol (PubChem CID 135726011) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
PubChem CID135726011
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
SMILESCOc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc(OC)c1O
InChIInChI=1S/C20H21N3O3/c1-11-6-5-7-14-15-8-12(2)22-23(15)20(21-18(11)14)13-9-16(25-3)19(24)17(10-13)26-4/h5-10,20-21,24H,1-4H3/t20-/m1/s1
InChIKeyYQZUQNYUYYFDEN-HXUWFJFHSA-N
XLogP3.86
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
CID 1095748
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
5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5169550
(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095762
3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 848146
5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 135814136
(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136695696

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol (CID 135726011) is 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol is COc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc(OC)c1O.
What is the InChIKey of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol?
The InChIKey is YQZUQNYUYYFDEN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-6-5-7-14-15-8-12(2)22-23(15)20(21-18(11)14)13-9-16(25-3)19(24)17(10-13)26-4/h5-10,20-21,24H,1-4H3/t20-/m1/s1.
What are the key properties of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol?
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol has a molecular weight of 351.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135726011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).