methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate

C25H27NO4 — CID 22314910

IUPACmethyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
SMILESC=C(CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(=O)OC
InChIInChI=1S/C25H27NO4/c1-14(24(27)29-6)12-20-23-16(22-18(28-5)8-7-9-19(22)30-20)10-11-17-21(23)15(2)13-25(3,4)26-17/h7-11,13,20,26H,1,12H2,2-6H3
InChIKeyQLWXIIXUBSZUOE-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.52
Rot. Bonds4

About methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate

methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate (PubChem CID 22314910) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
PubChem CID22314910
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namemethyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
SMILESC=C(CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(=O)OC
InChIInChI=1S/C25H27NO4/c1-14(24(27)29-6)12-20-23-16(22-18(28-5)8-7-9-19(22)30-20)10-11-17-21(23)15(2)13-25(3,4)26-17/h7-11,13,20,26H,1,12H2,2-6H3
InChIKeyQLWXIIXUBSZUOE-UHFFFAOYSA-N
XLogP5.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

10-methoxy-5-(2-propenyl)-2,5-dihydro-2,2,4-trimethyl-1H-(1)benzopyrano(3,4-f)quinoline
CID 9906282
5-[(E)-but-2-enyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 9863751
5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 44341871
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dimethoxybenzoate
CID 1346502
(5S)-10-methoxy-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 10092463
5-Cyclohept-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 44293372
trifluoromethyl 10-methoxy-4-methyl-2,5-dioxo-1H-chromeno[3,4-f]quinoline-9-carboxylate
CID 44448685
10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9821393
10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmethoxy-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9825465
10-Methoxy-2,2,4-trimethyl-5-(3-trifluoromethyl-phenyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9890023
10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9901180
5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9925244

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate (CID 22314910) is methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate is C=C(CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(=O)OC.
What is the InChIKey of methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate?
The InChIKey is QLWXIIXUBSZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-14(24(27)29-6)12-20-23-16(22-18(28-5)8-7-9-19(22)30-20)10-11-17-21(23)15(2)13-25(3,4)26-17/h7-11,13,20,26H,1,12H2,2-6H3.
What are the key properties of methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate?
methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate has a molecular weight of 405.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate is sourced from PubChem (CID 22314910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).