(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C27H31NO3 — CID 10341919

IUPAC(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H31NO3/c1-15-7-6-8-17(13-15)25-24-18(23-21(31-25)12-11-20(29)26(23)30-5)9-10-19-22(24)16(2)14-27(3,4)28-19/h9-14,17,25,28-29H,6-8H2,1-5H3/t17-,25+/m1/s1
InChIKeyAWORLHRQSDNJDQ-NSYGIPOTSA-N
MW417.55 g/mol
LogP6.86
Rot. Bonds2

About (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 10341919) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
PubChem CID10341919
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C27H31NO3/c1-15-7-6-8-17(13-15)25-24-18(23-21(31-25)12-11-20(29)26(23)30-5)9-10-19-22(24)16(2)14-27(3,4)28-19/h9-14,17,25,28-29H,6-8H2,1-5H3/t17-,25+/m1/s1
InChIKeyAWORLHRQSDNJDQ-NSYGIPOTSA-N
XLogP6.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 10341919) is (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The InChIKey is AWORLHRQSDNJDQ-NSYGIPOTSA-N. The full InChI is InChI=1S/C27H31NO3/c1-15-7-6-8-17(13-15)25-24-18(23-21(31-25)12-11-20(29)26(23)30-5)9-10-19-22(24)16(2)14-27(3,4)28-19/h9-14,17,25,28-29H,6-8H2,1-5H3/t17-,25+/m1/s1.
What are the key properties of (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 417.55 g/mol, XLogP of 6.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 10341919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).