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

C26H24ClNO — CID 11795355

IUPAC9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3
InChIInChI=1S/C26H24ClNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
InChIKeyZSTHFTOZNBONIT-UHFFFAOYSA-N
MW401.94 g/mol
LogP7.40
Rot. Bonds1

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

9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 11795355) has the molecular formula C26H24ClNO and a molecular weight of 401.94 g/mol. Its IUPAC name is 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID11795355
Molecular FormulaC26H24ClNO
Molecular Weight401.94 g/mol
Exact Mass401.15
IUPAC Name9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3
InChIInChI=1S/C26H24ClNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
InChIKeyZSTHFTOZNBONIT-UHFFFAOYSA-N
XLogP7.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10275917
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 91304099
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 23433665

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline (CID 11795355) is 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1cccc(C)c1)Oc1ccc(Cl)cc1-3.
What is the InChIKey of 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is ZSTHFTOZNBONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3.
What are the key properties of 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline?
9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 401.94 g/mol, XLogP of 7.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 11795355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).