2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C23H19N3O — CID 3420775

IUPAC2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2
InChIInChI=1S/C23H19N3O/c1-16-14-22-20-12-5-6-13-21(20)24-23(26(22)25-16)17-8-7-11-19(15-17)27-18-9-3-2-4-10-18/h2-15,23-24H,1H3
InChIKeyCUVKOECDSQBDQA-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.62
Rot. Bonds3

About 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline

2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3420775) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3420775
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2
InChIInChI=1S/C23H19N3O/c1-16-14-22-20-12-5-6-13-21(20)24-23(26(22)25-16)17-8-7-11-19(15-17)27-18-9-3-2-4-10-18/h2-15,23-24H,1H3
InChIKeyCUVKOECDSQBDQA-UHFFFAOYSA-N
XLogP5.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095515
N,N-dimethyl-4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]aniline
CID 1095488
(5S)-2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095526
(5S)-5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 848160
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688
5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3901500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3420775) is 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2.
What is the InChIKey of 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is CUVKOECDSQBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-14-22-20-12-5-6-13-21(20)24-23(26(22)25-16)17-8-7-11-19(15-17)27-18-9-3-2-4-10-18/h2-15,23-24H,1H3.
What are the key properties of 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 353.43 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).