2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

C31H25N3O — CID 145202402

IUPAC2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
SMILESc1cc(C2Nc3ccccc3C(c3ccc4ccccc4c3)N2)cc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C31H25N3O/c1-2-9-21-18-22(17-16-20(21)8-1)29-25-12-3-4-13-26(25)32-30(34-29)23-10-7-11-24(19-23)31-33-27-14-5-6-15-28(27)35-31/h1-19,29-34H
InChIKeyJLFMXXOZICRRTD-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.15
Rot. Bonds3

About 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole (PubChem CID 145202402) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
PubChem CID145202402
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
SMILESc1cc(C2Nc3ccccc3C(c3ccc4ccccc4c3)N2)cc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C31H25N3O/c1-2-9-21-18-22(17-16-20(21)8-1)29-25-12-3-4-13-26(25)32-30(34-29)23-10-7-11-24(19-23)31-33-27-14-5-6-15-28(27)35-31/h1-19,29-34H
InChIKeyJLFMXXOZICRRTD-UHFFFAOYSA-N
XLogP7.15
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
buta-1,3-diene;4-(7-phenylnaphthalen-2-yl)-2-[4-[4-(7-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl]-1,2,3,4-tetrahydroquinazoline
CID 144856519
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 6489068
2-[naphthalen-2-yl-[[4-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]methylamino]methyl]aniline
CID 144856635
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole
CID 129099820
(2S,4S)-2-(3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404329
2-[3-(9,9-dimethylxanthen-1-yl)phenyl]-4-naphthalen-1-yl-1,2,3,4-tetrahydroquinazoline
CID 166908910
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one
CID 15832025
2-(3-aminophenyl)-2,3-dihydro-1,3-benzoxazol-5-amine
CID 137466924

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole (CID 145202402) is 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole is c1cc(C2Nc3ccccc3C(c3ccc4ccccc4c3)N2)cc(C2Nc3ccccc3O2)c1.
What is the InChIKey of 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
The InChIKey is JLFMXXOZICRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O/c1-2-9-21-18-22(17-16-20(21)8-1)29-25-12-3-4-13-26(25)32-30(34-29)23-10-7-11-24(19-23)31-33-27-14-5-6-15-28(27)35-31/h1-19,29-34H.
What are the key properties of 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole?
2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole has a molecular weight of 455.56 g/mol, XLogP of 7.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-naphthalen-2-yl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 145202402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).