methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

C24H25NO5 — CID 4754150

IUPACmethyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESC=C1NC2=C(C(=O)CC(C)(C)C2)C(c2coc3ccc(C)cc3c2=O)C1C(=O)OC
InChIInChI=1S/C24H25NO5/c1-12-6-7-18-14(8-12)22(27)15(11-30-18)20-19(23(28)29-5)13(2)25-16-9-24(3,4)10-17(26)21(16)20/h6-8,11,19-20,25H,2,9-10H2,1,3-5H3
InChIKeyAJZMDWMHPLRGBD-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.73
Rot. Bonds2

About methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 4754150) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID4754150
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namemethyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESC=C1NC2=C(C(=O)CC(C)(C)C2)C(c2coc3ccc(C)cc3c2=O)C1C(=O)OC
InChIInChI=1S/C24H25NO5/c1-12-6-7-18-14(8-12)22(27)15(11-30-18)20-19(23(28)29-5)13(2)25-16-9-24(3,4)10-17(26)21(16)20/h6-8,11,19-20,25H,2,9-10H2,1,3-5H3
InChIKeyAJZMDWMHPLRGBD-UHFFFAOYSA-N
XLogP3.73
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(2-chlorophenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 5048838
(6R)-2,3,9,9-tetramethyl-6-(6-methyl-4-oxochromen-3-yl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 7092805
methyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4750952
6-O-methyl 3-O-propan-2-yl (4S,6R,7S)-2,7-dimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51560665
6-O-methyl 3-O-propan-2-yl (4S,6R,7R)-2,7-dimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 6559637
methyl (4R)-4-(6-chloro-4-oxochromen-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6973678
6-O-methyl 3-O-propyl 2,7-dimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 5210741
6-O-methyl 3-O-propyl (4R,6S,7R)-2,7-dimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51665852
oxolan-2-ylmethyl 7,7-dimethyl-2-methylidene-4-(2-methylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4073608
ethyl 4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4749106
ethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1123543
(4-methoxyphenyl)methyl (4R)-4-(6-chloro-4-oxochromen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1351501

Frequently Asked Questions

What is the IUPAC name of methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate (CID 4754150) is methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate is C=C1NC2=C(C(=O)CC(C)(C)C2)C(c2coc3ccc(C)cc3c2=O)C1C(=O)OC.
What is the InChIKey of methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is AJZMDWMHPLRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-12-6-7-18-14(8-12)22(27)15(11-30-18)20-19(23(28)29-5)13(2)25-16-9-24(3,4)10-17(26)21(16)20/h6-8,11,19-20,25H,2,9-10H2,1,3-5H3.
What are the key properties of methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate?
methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,7-dimethyl-2-methylidene-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 4754150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).