(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C23H25NO — CID 68943364

IUPAC(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCCC/C=C1\Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-14,24H,5-6H2,1-4H3/b20-10-
InChIKeyLCLAWSWZRIMAPF-JMIUGGIZSA-N
MW331.46 g/mol
LogP6.49
Rot. Bonds2

About (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 68943364) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID68943364
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCCC/C=C1\Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-14,24H,5-6H2,1-4H3/b20-10-
InChIKeyLCLAWSWZRIMAPF-JMIUGGIZSA-N
XLogP6.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10741917
(5Z)-5-[(3-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10813169
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 22314988
(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 23433665
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 59971100
9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 72610345
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703
(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 68943364) is (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CCC/C=C1\Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is LCLAWSWZRIMAPF-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H25NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-14,24H,5-6H2,1-4H3/b20-10-.
What are the key properties of (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 331.46 g/mol, XLogP of 6.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 68943364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).