methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate

C24H29NO7 — CID 166726176

IUPACmethyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCC1Oc2cc(OCCCOC)c(OC)cc2-c2c1cc(C(=O)OC)c(=O)n2C1CC1
InChIInChI=1S/C24H29NO7/c1-5-18-15-11-17(24(27)30-4)23(26)25(14-7-8-14)22(15)16-12-20(29-3)21(13-19(16)32-18)31-10-6-9-28-2/h11-14,18H,5-10H2,1-4H3
InChIKeyMUEVVHQKJJAHPI-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.90
Rot. Bonds9

About methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate

methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate (PubChem CID 166726176) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
PubChem CID166726176
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Namemethyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCC1Oc2cc(OCCCOC)c(OC)cc2-c2c1cc(C(=O)OC)c(=O)n2C1CC1
InChIInChI=1S/C24H29NO7/c1-5-18-15-11-17(24(27)30-4)23(26)25(14-7-8-14)22(15)16-12-20(29-3)21(13-19(16)32-18)31-10-6-9-28-2/h11-14,18H,5-10H2,1-4H3
InChIKeyMUEVVHQKJJAHPI-UHFFFAOYSA-N
XLogP3.90
TPSA85.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate
CID 166726204
9-chloro-1-cyclopropyl-5-ethyl-8-(3-methoxypropoxy)-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155339595
1-cyclopropyl-8-(3-methoxypropoxy)-5-methyl-9-(methylcarbamoyl)-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155339589
propan-2-yl 1-cyclopropyl-8-(3-methoxypropoxy)-5-methyl-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylate
CID 155339596
9-chloro-1-(3,3-difluorocyclobutyl)-8-(3-methoxypropoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
CID 138680364
N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
CID 156760203
9-chloro-1-cyclobutyl-8-(3-methoxypropoxy)-5-methyl-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155339846
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
5-tert-butyl-1-cyclopropyl-9-fluoro-8-(3-methoxypropoxy)-2-oxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155353018
9-chloro-1-cyclopropyl-8-(3-methoxypropoxy)-5-(3-methyloxetan-3-yl)-2-oxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155339758
methyl 2-chloro-3-(3-methoxypropoxy)-6-methyl-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylate
CID 139466141
9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
CID 154637624

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate (CID 166726176) is methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate is CCC1Oc2cc(OCCCOC)c(OC)cc2-c2c1cc(C(=O)OC)c(=O)n2C1CC1.
What is the InChIKey of methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The InChIKey is MUEVVHQKJJAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-5-18-15-11-17(24(27)30-4)23(26)25(14-7-8-14)22(15)16-12-20(29-3)21(13-19(16)32-18)31-10-6-9-28-2/h11-14,18H,5-10H2,1-4H3.
What are the key properties of methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate has a molecular weight of 443.50 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 166726176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).