(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C24H24ClNO2 — CID 91304099

IUPAC(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C1CC=C(Cl)C1)Oc1ccc(O)cc1-3
InChIInChI=1S/C24H24ClNO2/c1-13-12-24(2,3)26-19-8-7-17-18-11-16(27)6-9-20(18)28-23(22(17)21(13)19)14-4-5-15(25)10-14/h5-9,11-12,14,23,26-27H,4,10H2,1-3H3/t14?,23-/m1/s1
InChIKeyFOLUHPSNWNOBEY-NLPMCADVSA-N
MW393.91 g/mol
LogP6.63
Rot. Bonds1

About (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 91304099) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
PubChem CID91304099
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C1CC=C(Cl)C1)Oc1ccc(O)cc1-3
InChIInChI=1S/C24H24ClNO2/c1-13-12-24(2,3)26-19-8-7-17-18-11-16(27)6-9-20(18)28-23(22(17)21(13)19)14-4-5-15(25)10-14/h5-9,11-12,14,23,26-27H,4,10H2,1-3H3/t14?,23-/m1/s1
InChIKeyFOLUHPSNWNOBEY-NLPMCADVSA-N
XLogP6.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314860
9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 11795355
5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10341139
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57286996
(5R)-5-(3-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 57197402
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505
8-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-ol
CID 54332276
5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314991
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
2,2,4-trimethyl-1H-quinolin-7-ol
CID 23433587
10-chloro-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11089468
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 91304099) is (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C1CC=C(Cl)C1)Oc1ccc(O)cc1-3.
What is the InChIKey of (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The InChIKey is FOLUHPSNWNOBEY-NLPMCADVSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-13-12-24(2,3)26-19-8-7-17-18-11-16(27)6-9-20(18)28-23(22(17)21(13)19)14-4-5-15(25)10-14/h5-9,11-12,14,23,26-27H,4,10H2,1-3H3/t14?,23-/m1/s1.
What are the key properties of (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
(5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 393.91 g/mol, XLogP of 6.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-chlorocyclopent-3-en-1-yl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 91304099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).