4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol

C23H18ClN3O2 — CID 136846187

IUPAC4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol
SMILESCOc1cc(C2Nc3ccccc3-c3cc(-c4ccc(Cl)cc4)nn32)ccc1O
InChIInChI=1S/C23H18ClN3O2/c1-29-22-12-15(8-11-21(22)28)23-25-18-5-3-2-4-17(18)20-13-19(26-27(20)23)14-6-9-16(24)10-7-14/h2-13,23,25,28H,1H3
InChIKeyMOJYYBZAEKWMNL-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.56
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol

4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol (PubChem CID 136846187) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol
PubChem CID136846187
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol
SMILESCOc1cc(C2Nc3ccccc3-c3cc(-c4ccc(Cl)cc4)nn32)ccc1O
InChIInChI=1S/C23H18ClN3O2/c1-29-22-12-15(8-11-21(22)28)23-25-18-5-3-2-4-17(18)20-13-19(26-27(20)23)14-6-9-16(24)10-7-14/h2-13,23,25,28H,1H3
InChIKeyMOJYYBZAEKWMNL-UHFFFAOYSA-N
XLogP5.56
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
(6R)-6-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 98213277
4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
CID 4546081
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 71741088
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
5-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 3456601

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol (CID 136846187) is 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol is COc1cc(C2Nc3ccccc3-c3cc(-c4ccc(Cl)cc4)nn32)ccc1O.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol?
The InChIKey is MOJYYBZAEKWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-29-22-12-15(8-11-21(22)28)23-25-18-5-3-2-4-17(18)20-13-19(26-27(20)23)14-6-9-16(24)10-7-14/h2-13,23,25,28H,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol?
4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol has a molecular weight of 403.87 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2-methoxyphenol is sourced from PubChem (CID 136846187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).