8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one

C26H18N4O — CID 90643976

IUPAC8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C26H18N4O/c1-29-25-15-23(18-5-3-2-4-6-18)28-30(25)24-14-20(9-10-22(24)26(29)31)19-8-7-17-11-12-27-16-21(17)13-19/h2-16H,1H3
InChIKeyDUOKBXVNMNQTRT-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.07
Rot. Bonds2

About 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one

8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643976) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643976
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C26H18N4O/c1-29-25-15-23(18-5-3-2-4-6-18)28-30(25)24-14-20(9-10-22(24)26(29)31)19-8-7-17-11-12-27-16-21(17)13-19/h2-16H,1H3
InChIKeyDUOKBXVNMNQTRT-UHFFFAOYSA-N
XLogP5.07
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90013826
2-(3-bromophenyl)-4-methyl-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90681342
4-methyl-2-phenyl-8-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]quinazolin-5-one
CID 72545159
4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile
CID 140671591
8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
CID 72545903
3-[2-(4-chlorophenyl)-4-methyl-5-oxopyrazolo[1,5-a]quinazolin-8-yl]benzenesulfonamide
CID 90643970
2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
CID 90681336
7-(1-methylindazol-6-yl)isoquinoline
CID 166387565
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
6-naphthalen-2-ylisoquinoline
CID 59724414
8-(6-amino-3-pyridinyl)-2-ethyl-4-methylpyrazolo[1,5-a]quinazolin-5-one
CID 72545653
8-(1-methylpyrazol-4-yl)-2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 168926384

Frequently Asked Questions

What is the IUPAC name of 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one (CID 90643976) is 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is DUOKBXVNMNQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-29-25-15-23(18-5-3-2-4-6-18)28-30(25)24-14-20(9-10-22(24)26(29)31)19-8-7-17-11-12-27-16-21(17)13-19/h2-16H,1H3.
What are the key properties of 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one?
8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 402.46 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isoquinolin-7-yl-4-methyl-2-phenylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).