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

C18H17N3O2 — CID 1095521

IUPAC2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCOc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1O
InChIInChI=1S/C18H17N3O2/c1-11-10-15-12-6-3-4-8-14(12)19-18(21(15)20-11)13-7-5-9-16(23-2)17(13)22/h3-10,18-19,22H,1-2H3/t18-/m1/s1
InChIKeyHTEGCUNVKKQSJV-GOSISDBHSA-N
MW307.35 g/mol
LogP3.55
Rot. Bonds2

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

2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 1095521) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID1095521
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCOc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1O
InChIInChI=1S/C18H17N3O2/c1-11-10-15-12-6-3-4-8-14(12)19-18(21(15)20-11)13-7-5-9-16(23-2)17(13)22/h3-10,18-19,22H,1-2H3/t18-/m1/s1
InChIKeyHTEGCUNVKKQSJV-GOSISDBHSA-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

Computed Properties (RDKit)

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

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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
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095515
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4573342
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775
2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
CID 3878015
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 1095521) is 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is COc1cccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c1O.
What is the InChIKey of 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is HTEGCUNVKKQSJV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-10-15-12-6-3-4-8-14(12)19-18(21(15)20-11)13-7-5-9-16(23-2)17(13)22/h3-10,18-19,22H,1-2H3/t18-/m1/s1.
What are the key properties of 2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
2-methoxy-6-[(5R)-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-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 1095521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).