tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate

C25H34N2O4 — CID 86730705

About tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate

tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate (PubChem CID 86730705) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
• PubChem CID: 86730705
• Molecular Formula: C25H34N2O4
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.25
• IUPAC Name: tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
• SMILES: COc1ccc2ncc3c(c2c1)CC(CC1CCC(NC(=O)OC(C)(C)C)CC1)CO3
• InChI: InChI=1S/C25H34N2O4/c1-25(2,3)31-24(28)27-18-7-5-16(6-8-18)11-17-12-21-20-13-19(29-4)9-10-22(20)26-14-23(21)30-15-17/h9-10,13-14,16-18H,5-8,11-12,15H2,1-4H3,(H,27,28)
• InChIKey: RMFVAVXWPSJIIE-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate?

The IUPAC name of tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate (CID 86730705) is tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate is COc1ccc2ncc3c(c2c1)CC(CC1CCC(NC(=O)OC(C)(C)C)CC1)CO3.

What is the InChIKey of tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate?

The InChIKey is RMFVAVXWPSJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-25(2,3)31-24(28)27-18-7-5-16(6-8-18)11-17-12-21-20-13-19(29-4)9-10-22(20)26-14-23(21)30-15-17/h9-10,13-14,16-18H,5-8,11-12,15H2,1-4H3,(H,27,28).

What are the key properties of tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate?

tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 86730705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).