2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide

C30H31FN4O6 — CID 123239231

IUPAC2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(=O)NCCO)C1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21
InChIInChI=1S/C30H31FN4O6/c1-30(2,28(38)34-29(39)32-12-15-36)24-20-4-3-5-22(31)25(20)41-26-21(24)10-11-23(33-26)18-6-8-19(9-7-18)27(37)35-13-16-40-17-14-35/h3-11,24,36H,12-17H2,1-2H3,(H2,32,34,38,39)
InChIKeyKIAXLFXZADSNSD-UHFFFAOYSA-N
MW562.60 g/mol
LogP3.44
Rot. Bonds6

About 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide

2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide (PubChem CID 123239231) has the molecular formula C30H31FN4O6 and a molecular weight of 562.60 g/mol. Its IUPAC name is 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide
PubChem CID123239231
Molecular FormulaC30H31FN4O6
Molecular Weight562.60 g/mol
Exact Mass562.22
IUPAC Name2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC(=O)NCCO)C1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21
InChIInChI=1S/C30H31FN4O6/c1-30(2,28(38)34-29(39)32-12-15-36)24-20-4-3-5-22(31)25(20)41-26-21(24)10-11-23(33-26)18-6-8-19(9-7-18)27(37)35-13-16-40-17-14-35/h3-11,24,36H,12-17H2,1-2H3,(H2,32,34,38,39)
InChIKeyKIAXLFXZADSNSD-UHFFFAOYSA-N
XLogP3.44
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide?
The IUPAC name of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide (CID 123239231) is 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide.
What is the SMILES notation for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide?
The canonical SMILES for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide is CC(C)(C(=O)NC(=O)NCCO)C1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21.
What is the InChIKey of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide?
The InChIKey is KIAXLFXZADSNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O6/c1-30(2,28(38)34-29(39)32-12-15-36)24-20-4-3-5-22(31)25(20)41-26-21(24)10-11-23(33-26)18-6-8-19(9-7-18)27(37)35-13-16-40-17-14-35/h3-11,24,36H,12-17H2,1-2H3,(H2,32,34,38,39).
What are the key properties of 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide?
2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide has a molecular weight of 562.60 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(2-hydroxyethylcarbamoyl)-2-methylpropanamide is sourced from PubChem (CID 123239231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).