10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline

C22H22ClNO — CID 11089468

IUPAC10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C22H22ClNO/c1-5-7-17-21-14(20-15(23)8-6-9-18(20)25-17)10-11-16-19(21)13(2)12-22(3,4)24-16/h5-6,8-12,17,24H,1,7H2,2-4H3
InChIKeyUXGUYYJUKZKENF-UHFFFAOYSA-N
MW351.88 g/mol
LogP6.62
Rot. Bonds2

About 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline

10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 11089468) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID11089468
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C22H22ClNO/c1-5-7-17-21-14(20-15(23)8-6-9-18(20)25-17)10-11-16-19(21)13(2)12-22(3,4)24-16/h5-6,8-12,17,24H,1,7H2,2-4H3
InChIKeyUXGUYYJUKZKENF-UHFFFAOYSA-N
XLogP6.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10949091
methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
CID 11069511
(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-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 23552301
5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314886
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314991
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
5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314911
N-methoxy-2-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)-N-methylacetamide
CID 23552307

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 11089468) is 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is C=CCC1Oc2cccc(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is UXGUYYJUKZKENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-5-7-17-21-14(20-15(23)8-6-9-18(20)25-17)10-11-16-19(21)13(2)12-22(3,4)24-16/h5-6,8-12,17,24H,1,7H2,2-4H3.
What are the key properties of 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?
10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 351.88 g/mol, XLogP of 6.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 11089468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).