5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline

C55H55BrN2O2 — CID 167676492

IUPAC5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(Br)cc1)Oc1cccc(C)c1-3.CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(C)cc1)Oc1cccc(C)c1-3
InChIInChI=1S/C28H29NO.C27H26BrNO/c1-17-9-11-20(12-10-17)15-24-27-21(25-18(2)7-6-8-23(25)30-24)13-14-22-26(27)19(3)16-28(4,5)29-22;1-16-6-5-7-22-24(16)20-12-13-21-25(17(2)15-27(3,4)29-21)26(20)23(30-22)14-18-8-10-19(28)11-9-18/h6-14,16,24,29H,15H2,1-5H3;5-13,15,23,29H,14H2,1-4H3
InChIKeyUWUAGBKADHWBHD-UHFFFAOYSA-N
MW855.96 g/mol
LogP14.96
Rot. Bonds4

About 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline

5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 167676492) has the molecular formula C55H55BrN2O2 and a molecular weight of 855.96 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID167676492
Molecular FormulaC55H55BrN2O2
Molecular Weight855.96 g/mol
Exact Mass854.34
IUPAC Name5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(Br)cc1)Oc1cccc(C)c1-3.CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(C)cc1)Oc1cccc(C)c1-3
InChIInChI=1S/C28H29NO.C27H26BrNO/c1-17-9-11-20(12-10-17)15-24-27-21(25-18(2)7-6-8-23(25)30-24)13-14-22-26(27)19(3)16-28(4,5)29-22;1-16-6-5-7-22-24(16)20-12-13-21-25(17(2)15-27(3,4)29-21)26(20)23(30-22)14-18-8-10-19(28)11-9-18/h6-14,16,24,29H,15H2,1-5H3;5-13,15,23,29H,14H2,1-4H3
InChIKeyUWUAGBKADHWBHD-UHFFFAOYSA-N
XLogP14.96
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.96
LogP ≤ 514.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline with MolForge

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Related Compounds

[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol
CID 167629542
5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314991
10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11089468
10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10949091
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
[(E)-4-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)but-2-enyl] N-benzylcarbamate
CID 23552302
5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314886
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
CID 11069511

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline (CID 167676492) is 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(Br)cc1)Oc1cccc(C)c1-3.CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(C)cc1)Oc1cccc(C)c1-3.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is UWUAGBKADHWBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO.C27H26BrNO/c1-17-9-11-20(12-10-17)15-24-27-21(25-18(2)7-6-8-23(25)30-24)13-14-22-26(27)19(3)16-28(4,5)29-22;1-16-6-5-7-22-24(16)20-12-13-21-25(17(2)15-27(3,4)29-21)26(20)23(30-22)14-18-8-10-19(28)11-9-18/h6-14,16,24,29H,15H2,1-5H3;5-13,15,23,29H,14H2,1-4H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline?
5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 855.96 g/mol, XLogP of 14.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2,2,4,10-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline;2,2,4,10-tetramethyl-5-[(4-methylphenyl)methyl]-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 167676492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).