(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C24H25NO2 — CID 22314988

IUPAC(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESC=CC/C=C1\Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h6,8-14,25H,1,7H2,2-5H3/b20-9-
InChIKeyIVFQDTIPTLOTCQ-UKWGHVSLSA-N
MW359.47 g/mol
LogP6.28
Rot. Bonds3

About (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 22314988) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID22314988
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESC=CC/C=C1\Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h6,8-14,25H,1,7H2,2-5H3/b20-9-
InChIKeyIVFQDTIPTLOTCQ-UKWGHVSLSA-N
XLogP6.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline with MolForge

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Related Compounds

5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314911
(5Z)-5-[2-[(1Z)-4-hydroxyhepta-1,6-dienyl]sulfanylethylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 143098319
(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 68943364
10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 23552301
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
5-[[3-(1-hydroxybut-3-enyl)thiophen-2-yl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 72958949
(5Z)-5-[[3-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
N-methoxy-2-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)-N-methylacetamide
CID 23552307
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 22314988) is (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is C=CC/C=C1\Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is IVFQDTIPTLOTCQ-UKWGHVSLSA-N. The full InChI is InChI=1S/C24H25NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h6,8-14,25H,1,7H2,2-5H3/b20-9-.
What are the key properties of (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 359.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 22314988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).