ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate

C22H19NO4 — CID 143807462

IUPACethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
InChIInChI=1S/C22H19NO4/c1-3-26-22(25)20-13(2)27-19-11-16(24)8-9-17(19)21(20)15-10-14-6-4-5-7-18(14)23-12-15/h4-12,21,24H,3H2,1-2H3
InChIKeyVNHJHEKLNGJIDR-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.30
Rot. Bonds3

About ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate

ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate (PubChem CID 143807462) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate
PubChem CID143807462
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Nameethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
InChIInChI=1S/C22H19NO4/c1-3-26-22(25)20-13(2)27-19-11-16(24)8-9-17(19)21(20)15-10-14-6-4-5-7-18(14)23-12-15/h4-12,21,24H,3H2,1-2H3
InChIKeyVNHJHEKLNGJIDR-UHFFFAOYSA-N
XLogP4.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-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

ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
CID 3326186
ethyl 6-methyl-4-quinolin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102393293
ethyl 7-hydroxy-4-phenyl-2-[(triphenyl-λ5-phosphanylidene)amino]-4H-chromene-3-carboxylate
CID 172907473
diethyl 1-benzyl-4-quinolin-3-yl-4H-pyridine-3,5-dicarboxylate
CID 155532314
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
methyl 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoate
CID 15100211
ethyl 6-amino-5-cyano-4-(3-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 5132156
ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
CID 4018923
diethyl 4-(3-chlorophenyl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
CID 71739309
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate (CID 143807462) is ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(C)Oc2cc(O)ccc2C1c1cnc2ccccc2c1.
What is the InChIKey of ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate?
The InChIKey is VNHJHEKLNGJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-3-26-22(25)20-13(2)27-19-11-16(24)8-9-17(19)21(20)15-10-14-6-4-5-7-18(14)23-12-15/h4-12,21,24H,3H2,1-2H3.
What are the key properties of ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate?
ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-2-methyl-4-quinolin-3-yl-4H-chromene-3-carboxylate is sourced from PubChem (CID 143807462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).