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

C27H25NO — CID 22314992

IUPAC10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=Cc1cccc2c1-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H25NO/c1-5-18-12-9-13-22-24(18)20-14-15-21-23(17(2)16-27(3,4)28-21)25(20)26(29-22)19-10-7-6-8-11-19/h5-16,26,28H,1H2,2-4H3
InChIKeySUPUFUJDXQAONV-UHFFFAOYSA-N
MW379.50 g/mol
LogP7.09
Rot. Bonds2

About 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline

10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 22314992) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID22314992
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=Cc1cccc2c1-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H25NO/c1-5-18-12-9-13-22-24(18)20-14-15-21-23(17(2)16-27(3,4)28-21)25(20)26(29-22)19-10-7-6-8-11-19/h5-16,26,28H,1H2,2-4H3
InChIKeySUPUFUJDXQAONV-UHFFFAOYSA-N
XLogP7.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11089468
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 11795355
5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314911

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 22314992) is 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is C=Cc1cccc2c1-c1ccc3c(c1C(c1ccccc1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is SUPUFUJDXQAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-5-18-12-9-13-22-24(18)20-14-15-21-23(17(2)16-27(3,4)28-21)25(20)26(29-22)19-10-7-6-8-11-19/h5-16,26,28H,1H2,2-4H3.
What are the key properties of 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline?
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 379.50 g/mol, XLogP of 7.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 22314992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).