9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C26H24ClNO2 — CID 10598088

IUPAC9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1ccc(C2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
InChIKeyDLEYVIMVXHWFBW-UHFFFAOYSA-N
MW417.94 g/mol
LogP7.10
Rot. Bonds2

About 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10598088) has the molecular formula C26H24ClNO2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10598088
Molecular FormulaC26H24ClNO2
Molecular Weight417.94 g/mol
Exact Mass417.15
IUPAC Name9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1ccc(C2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
InChIKeyDLEYVIMVXHWFBW-UHFFFAOYSA-N
XLogP7.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10598088) is 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is COc1ccc(C2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1.
What is the InChIKey of 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is DLEYVIMVXHWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3.
What are the key properties of 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 417.94 g/mol, XLogP of 7.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10598088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).