2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline

C24H20N2O — CID 3042687

IUPAC2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline
SMILESc1ccc(COc2cccc(-c3cc4n(n3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C24H20N2O/c1-2-7-18(8-3-1)17-27-22-11-6-10-20(15-22)23-16-21-14-13-19-9-4-5-12-24(19)26(21)25-23/h1-12,15-16H,13-14,17H2
InChIKeyXZWMSYULGFSQRJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.22
Rot. Bonds4

About 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline

2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline (PubChem CID 3042687) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline
PubChem CID3042687
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline
SMILESc1ccc(COc2cccc(-c3cc4n(n3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C24H20N2O/c1-2-7-18(8-3-1)17-27-22-11-6-10-20(15-22)23-16-21-14-13-19-9-4-5-12-24(19)26(21)25-23/h1-12,15-16H,13-14,17H2
InChIKeyXZWMSYULGFSQRJ-UHFFFAOYSA-N
XLogP5.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520214
N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46943779
N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646897
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
CID 57238609
CID 57238609
8-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyridine
CID 25013106
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline?
The IUPAC name of 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline (CID 3042687) is 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline is c1ccc(COc2cccc(-c3cc4n(n3)-c3ccccc3CC4)c2)cc1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline?
The InChIKey is XZWMSYULGFSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-2-7-18(8-3-1)17-27-22-11-6-10-20(15-22)23-16-21-14-13-19-9-4-5-12-24(19)26(21)25-23/h1-12,15-16H,13-14,17H2.
What are the key properties of 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline?
2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline has a molecular weight of 352.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinoline is sourced from PubChem (CID 3042687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).