2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

C25H23NO — CID 101338088

IUPAC2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=Cc2c(ccc3c2COc2ccc(-c4ccccc4)cc2-3)NC1(C)C
InChIInChI=1S/C25H23NO/c1-16-13-20-22-15-27-24-12-9-18(17-7-5-4-6-8-17)14-21(24)19(22)10-11-23(20)26-25(16,2)3/h4-14,26H,15H2,1-3H3
InChIKeyHEJNHWGQHWNMSO-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.52
Rot. Bonds1

About 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 101338088) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID101338088
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=Cc2c(ccc3c2COc2ccc(-c4ccccc4)cc2-3)NC1(C)C
InChIInChI=1S/C25H23NO/c1-16-13-20-22-15-27-24-12-9-18(17-7-5-4-6-8-17)14-21(24)19(22)10-11-23(20)26-25(16,2)3/h4-14,26H,15H2,1-3H3
InChIKeyHEJNHWGQHWNMSO-UHFFFAOYSA-N
XLogP6.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 101338081
3-benzhydrylidene-5-phenyl-1-benzofuran
CID 71697721
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
CID 83789523
9,9-dimethyl-6-phenyl-2,3-dihydrofluorene
CID 178165588
trimethyl-[4-phenyl-2-(5-phenyl-2-trimethylsilylphenyl)phenyl]silane
CID 138968702
10-phenyl-2-[7,7,12,12-tetramethyl-2-(8-phenyldibenzofuran-2-yl)indeno[2,1-g]fluoren-9-yl]-6,7-dihydrobenzo[d][1]benzoxepine
CID 166898484
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
6-phenyl-2H-chromene-4-carboxylic acid
CID 82087891
1,2,4-triphenylbenzene
CID 518325
2-methyl-6-phenyl-4H-1,4-benzoxazine-3-thione
CID 22623153
10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
CID 169281806
7-methyl-6H-benzo[c]chromene
CID 138981577

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 101338088) is 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=Cc2c(ccc3c2COc2ccc(-c4ccccc4)cc2-3)NC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is HEJNHWGQHWNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-16-13-20-22-15-27-24-12-9-18(17-7-5-4-6-8-17)14-21(24)19(22)10-11-23(20)26-25(16,2)3/h4-14,26H,15H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 353.47 g/mol, XLogP of 6.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 101338088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).