methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate

C19H18N2O5 — CID 174712994

IUPACmethyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate
SMILESCOC(=O)c1cc(-c2ccc[nH]2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C19H18N2O5/c1-24-19(23)12-9-13(15-3-2-4-20-15)18-14(10-12)16(22)11-17(26-18)21-5-7-25-8-6-21/h2-4,9-11,20H,5-8H2,1H3
InChIKeyPPKIKSFQGXDBJA-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate

methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate (PubChem CID 174712994) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate
PubChem CID174712994
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate
SMILESCOC(=O)c1cc(-c2ccc[nH]2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C19H18N2O5/c1-24-19(23)12-9-13(15-3-2-4-20-15)18-14(10-12)16(22)11-17(26-18)21-5-7-25-8-6-21/h2-4,9-11,20H,5-8H2,1H3
InChIKeyPPKIKSFQGXDBJA-UHFFFAOYSA-N
XLogP2.41
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-[1-(4-methylphenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 123542059
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 89051670
methyl 8-[2-(3-chloro-2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 67194705
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
methyl 8-(1-bromoethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxylate;methyl 8-[1-(3-chloro-2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 162108078
8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
CID 164600760
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 86672414
8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
CID 172621521
tert-butyl 2-[6-(dimethylcarbamoyl)-2-morpholin-4-yl-4-oxochromen-8-yl]pyrrole-1-carboxylate
CID 86672430
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate (CID 174712994) is methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate is COC(=O)c1cc(-c2ccc[nH]2)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate?
The InChIKey is PPKIKSFQGXDBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-19(23)12-9-13(15-3-2-4-20-15)18-14(10-12)16(22)11-17(26-18)21-5-7-25-8-6-21/h2-4,9-11,20H,5-8H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate?
methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate is sourced from PubChem (CID 174712994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).