ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate

C18H18N2O4 — CID 20563035

IUPACethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1N
InChIInChI=1S/C18H18N2O4/c1-4-23-18(22)12-8-14-15(20-17(12)19)16(21)11-7-10(9(2)3)5-6-13(11)24-14/h5-9H,4H2,1-3H3,(H2,19,20)
InChIKeyABULBXJKVAXAIV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.22
Rot. Bonds3

About ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate

ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20563035) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20563035
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1N
InChIInChI=1S/C18H18N2O4/c1-4-23-18(22)12-8-14-15(20-17(12)19)16(21)11-7-10(9(2)3)5-6-13(11)24-14/h5-9H,4H2,1-3H3,(H2,19,20)
InChIKeyABULBXJKVAXAIV-UHFFFAOYSA-N
XLogP3.22
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-8-nitro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
CID 20563043
sodium 2-[hydroxy(methyl)amino]-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate
CID 88772713
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
ethyl 2-amino-7-cyclohexyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130275109
ethyl 2-amino-7-(3,3-dimethylbutyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130276879
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
CID 118896349
trimethylsilyl 5-oxo-7-propan-2-yl-2-(trimethylsilylamino)chromeno[2,3-b]pyridine-3-carboxylate
CID 91745178
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate (CID 20563035) is ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2oc3ccc(C(C)C)cc3c(=O)c2nc1N.
What is the InChIKey of ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is ABULBXJKVAXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-23-18(22)12-8-14-15(20-17(12)19)16(21)11-7-10(9(2)3)5-6-13(11)24-14/h5-9H,4H2,1-3H3,(H2,19,20).
What are the key properties of ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate?
ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-10-oxo-8-propan-2-ylchromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20563035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).