6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

C29H31N3O7 — CID 142942039

About 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (PubChem CID 142942039) has the molecular formula C29H31N3O7 and a molecular weight of 533.58 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• PubChem CID: 142942039
• Molecular Formula: C29H31N3O7
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.22
• IUPAC Name: 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• SMILES: COc1cc2oc(C(=O)NCC(=O)N3CCC(c4ccccc4CN4CCCC4=O)CC3)cc(=O)c2cc1O
• InChI: InChI=1S/C29H31N3O7/c1-38-25-15-24-21(13-23(25)34)22(33)14-26(39-24)29(37)30-16-28(36)31-11-8-18(9-12-31)20-6-3-2-5-19(20)17-32-10-4-7-27(32)35/h2-3,5-6,13-15,18,34H,4,7-12,16-17H2,1H3,(H,30,37)
• InChIKey: CBGDNFJVTZSAFM-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 129.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The IUPAC name of 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (CID 142942039) is 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

What is the SMILES notation for 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The canonical SMILES for 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is COc1cc2oc(C(=O)NCC(=O)N3CCC(c4ccccc4CN4CCCC4=O)CC3)cc(=O)c2cc1O.

What is the InChIKey of 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The InChIKey is CBGDNFJVTZSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O7/c1-38-25-15-24-21(13-23(25)34)22(33)14-26(39-24)29(37)30-16-28(36)31-11-8-18(9-12-31)20-6-3-2-5-19(20)17-32-10-4-7-27(32)35/h2-3,5-6,13-15,18,34H,4,7-12,16-17H2,1H3,(H,30,37).

What are the key properties of 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 142942039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).