3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C23H18N2O2 — CID 7465273

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCc2ccccc21
InChIInChI=1S/C23H18N2O2/c26-23(25-14-6-10-16-7-4-5-11-21(16)25)18-12-13-20-19(15-18)22(27-24-20)17-8-2-1-3-9-17/h1-5,7-9,11-13,15H,6,10,14H2
InChIKeyJCLJAYXNDLWKOR-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.09
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 7465273) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID7465273
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCc2ccccc21
InChIInChI=1S/C23H18N2O2/c26-23(25-14-6-10-16-7-4-5-11-21(16)25)18-12-13-20-19(15-18)22(27-24-20)17-8-2-1-3-9-17/h1-5,7-9,11-13,15H,6,10,14H2
InChIKeyJCLJAYXNDLWKOR-UHFFFAOYSA-N
XLogP5.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30739138
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 121153510
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 38861430
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 55653019
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(2,2-dimethylmorpholin-4-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51114484
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110451226
2-[(2R)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidin-2-yl]acetamide
CID 95382927
[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22575651

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 7465273) is 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone is O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is JCLJAYXNDLWKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23(25-14-6-10-16-7-4-5-11-21(16)25)18-12-13-20-19(15-18)22(27-24-20)17-8-2-1-3-9-17/h1-5,7-9,11-13,15H,6,10,14H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 7465273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).