2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid

C27H26N2O5 — CID 67436380

IUPAC2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1c2ccccc2Oc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ncc21
InChIInChI=1S/C27H26N2O5/c1-27(2,26(31)32)24-19-5-3-4-6-22(19)34-23-15-21(28-16-20(23)24)17-7-9-18(10-8-17)25(30)29-11-13-33-14-12-29/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32)
InChIKeyRSBBLOGWABKHTA-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.57
Rot. Bonds4

About 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid

2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid (PubChem CID 67436380) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid
PubChem CID67436380
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1c2ccccc2Oc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ncc21
InChIInChI=1S/C27H26N2O5/c1-27(2,26(31)32)24-19-5-3-4-6-22(19)34-23-15-21(28-16-20(23)24)17-7-9-18(10-8-17)25(30)29-11-13-33-14-12-29/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32)
InChIKeyRSBBLOGWABKHTA-UHFFFAOYSA-N
XLogP4.57
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid with MolForge

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Related Compounds

N-(dimethylcarbamoyl)-2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
CID 118707973
2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-formyl-2-methylpropanamide
CID 123142426
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(2-methylpropanoyl)propanamide
CID 118707970
morpholin-4-yl-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 144901391
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide
CID 123239231
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[4-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]methanone
CID 159923241
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide;N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]morpholine-4-carboxamide;morpholine-4-carbonyl chloride
CID 158370600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid (CID 67436380) is 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid is CC(C)(C(=O)O)C1c2ccccc2Oc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ncc21.
What is the InChIKey of 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid?
The InChIKey is RSBBLOGWABKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-27(2,26(31)32)24-19-5-3-4-6-22(19)34-23-15-21(28-16-20(23)24)17-7-9-18(10-8-17)25(30)29-11-13-33-14-12-29/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32).
What are the key properties of 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid?
2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid has a molecular weight of 458.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[4-(morpholine-4-carbonyl)phenyl]-10H-chromeno[3,2-c]pyridin-10-yl]propanoic acid is sourced from PubChem (CID 67436380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).