5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline

C28H33NO4 — CID 68946453

IUPAC5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
SMILESCOc1ccc2c(c1OC)-c1ccc3c(c1C(C1CC=CCC1)O2)C(C)=CC(C)(C)N3OC
InChIInChI=1S/C28H33NO4/c1-17-16-28(2,3)29(32-6)20-13-12-19-24-21(14-15-22(30-4)27(24)31-5)33-26(25(19)23(17)20)18-10-8-7-9-11-18/h7-8,12-16,18,26H,9-11H2,1-6H3
InChIKeyIDXVLFCQVCIMOL-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.72
Rot. Bonds4

About 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline

5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline (PubChem CID 68946453) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
PubChem CID68946453
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC Name5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
SMILESCOc1ccc2c(c1OC)-c1ccc3c(c1C(C1CC=CCC1)O2)C(C)=CC(C)(C)N3OC
InChIInChI=1S/C28H33NO4/c1-17-16-28(2,3)29(32-6)20-13-12-19-24-21(14-15-22(30-4)27(24)31-5)33-26(25(19)23(17)20)18-10-8-7-9-11-18/h7-8,12-16,18,26H,9-11H2,1-6H3
InChIKeyIDXVLFCQVCIMOL-UHFFFAOYSA-N
XLogP6.72
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline with MolForge

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Related Compounds

5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314860
5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 74972411
ethyl 4-[(10-methoxy-2,2,4-trimethyl-1-prop-2-enyl-5H-chromeno[3,4-f]quinolin-9-yl)oxy]butanoate
CID 90685528
1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene
CID 89431586
(10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-yl) butanoate
CID 68944683
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
4-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-5-methyl-1,2-dihydropyrazol-3-one
CID 40920868
5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314911
5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040
(3S)-6,7-dimethoxy-3-morpholin-4-ium-4-yl-3H-2-benzofuran-1-one
CID 7038493
(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene
CID 11054487

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline?
The IUPAC name of 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline (CID 68946453) is 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline is COc1ccc2c(c1OC)-c1ccc3c(c1C(C1CC=CCC1)O2)C(C)=CC(C)(C)N3OC.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline?
The InChIKey is IDXVLFCQVCIMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-17-16-28(2,3)29(32-6)20-13-12-19-24-21(14-15-22(30-4)27(24)31-5)33-26(25(19)23(17)20)18-10-8-7-9-11-18/h7-8,12-16,18,26H,9-11H2,1-6H3.
What are the key properties of 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline?
5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline has a molecular weight of 447.58 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-1,9,10-trimethoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 68946453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).