2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

C18H17N3O2 — CID 3158653

IUPAC2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCOc1cc(C2Nc3ccccc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C18H17N3O2/c1-11-9-15-13-5-3-4-6-14(13)19-18(21(15)20-11)12-7-8-16(22)17(10-12)23-2/h3-10,18-19,22H,1-2H3
InChIKeyQEPUEEKKMBNASE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.55
Rot. Bonds2

About 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol

2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (PubChem CID 3158653) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
PubChem CID3158653
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol
SMILESCOc1cc(C2Nc3ccccc3-c3cc(C)nn32)ccc1O
InChIInChI=1S/C18H17N3O2/c1-11-9-15-13-5-3-4-6-14(13)19-18(21(15)20-11)12-7-8-16(22)17(10-12)23-2/h3-10,18-19,22H,1-2H3
InChIKeyQEPUEEKKMBNASE-UHFFFAOYSA-N
XLogP3.55
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The IUPAC name of 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol (CID 3158653) is 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The canonical SMILES for 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is COc1cc(C2Nc3ccccc3-c3cc(C)nn32)ccc1O.
What is the InChIKey of 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
The InChIKey is QEPUEEKKMBNASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-9-15-13-5-3-4-6-14(13)19-18(21(15)20-11)12-7-8-16(22)17(10-12)23-2/h3-10,18-19,22H,1-2H3.
What are the key properties of 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol?
2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol has a molecular weight of 307.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)phenol is sourced from PubChem (CID 3158653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).