4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

C30H31N3O5 — CID 4748743

About 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide

4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 4748743) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 4748743
• Molecular Formula: C30H31N3O5
• Molecular Weight: 513.59 g/mol
• Exact Mass: 513.23
• IUPAC Name: 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: C=C1NC2=C(C(=O)CC(C)(C)C2)C(c2ccc(COc3ccc(OC)cc3)o2)C1C(=O)Nc1ccccn1
• InChI: InChI=1S/C30H31N3O5/c1-18-26(29(35)33-25-7-5-6-14-31-25)28(27-22(32-18)15-30(2,3)16-23(27)34)24-13-12-21(38-24)17-37-20-10-8-19(36-4)9-11-20/h5-14,26,28,32H,1,15-17H2,2-4H3,(H,31,33,35)
• InChIKey: OREGWNZCRGHMON-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.59
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide (CID 4748743) is 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide is C=C1NC2=C(C(=O)CC(C)(C)C2)C(c2ccc(COc3ccc(OC)cc3)o2)C1C(=O)Nc1ccccn1.

What is the InChIKey of 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is OREGWNZCRGHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-18-26(29(35)33-25-7-5-6-14-31-25)28(27-22(32-18)15-30(2,3)16-23(27)34)24-13-12-21(38-24)17-37-20-10-8-19(36-4)9-11-20/h5-14,26,28,32H,1,15-17H2,2-4H3,(H,31,33,35).

What are the key properties of 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide?

4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 513.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4748743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).