4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol

C18H17N3O2 — CID 1095748

IUPAC4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
SMILESCc1cc2n(n1)[C@H](c1ccc(O)cc1O)Nc1c(C)cccc1-2
InChIInChI=1S/C18H17N3O2/c1-10-4-3-5-13-15-8-11(2)20-21(15)18(19-17(10)13)14-7-6-12(22)9-16(14)23/h3-9,18-19,22-23H,1-2H3/t18-/m1/s1
InChIKeyXZMUBUVAESNSBA-GOSISDBHSA-N
MW307.35 g/mol
LogP3.55
Rot. Bonds1

About 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol

4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol (PubChem CID 1095748) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
PubChem CID1095748
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
SMILESCc1cc2n(n1)[C@H](c1ccc(O)cc1O)Nc1c(C)cccc1-2
InChIInChI=1S/C18H17N3O2/c1-10-4-3-5-13-15-8-11(2)20-21(15)18(19-17(10)13)14-7-6-12(22)9-16(14)23/h3-9,18-19,22-23H,1-2H3/t18-/m1/s1
InChIKeyXZMUBUVAESNSBA-GOSISDBHSA-N
XLogP3.55
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 135814136
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756
2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095762
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688
3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 848146
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
3-(2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
CID 3158716
5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5169550
4-[4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenyl]morpholine
CID 982258

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol (CID 1095748) is 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol is Cc1cc2n(n1)[C@H](c1ccc(O)cc1O)Nc1c(C)cccc1-2.
What is the InChIKey of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol?
The InChIKey is XZMUBUVAESNSBA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-4-3-5-13-15-8-11(2)20-21(15)18(19-17(10)13)14-7-6-12(22)9-16(14)23/h3-9,18-19,22-23H,1-2H3/t18-/m1/s1.
What are the key properties of 4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol?
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol has a molecular weight of 307.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 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]benzene-1,3-diol is sourced from PubChem (CID 1095748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).