ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

C22H29Cl2N3O4 — CID 144806668

About ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (PubChem CID 144806668) has the molecular formula C22H29Cl2N3O4 and a molecular weight of 470.40 g/mol. Its IUPAC name is ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
• PubChem CID: 144806668
• Molecular Formula: C22H29Cl2N3O4
• Molecular Weight: 470.40 g/mol
• Exact Mass: 469.15
• IUPAC Name: ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
• SMILES: CC.COC(=O)Nc1ncc2c(c1Cl)-c1cc(Cl)c(OCC(C)CC(C)N)cc1OC2
• InChI: InChI=1S/C20H23Cl2N3O4.C2H6/c1-10(4-11(2)23)8-28-16-6-15-13(5-14(16)21)17-12(9-29-15)7-24-19(18(17)22)25-20(26)27-3;1-2/h5-7,10-11H,4,8-9,23H2,1-3H3,(H,24,25,26);1-2H3
• InChIKey: HNZDSJYGJQNTKC-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 95.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.40
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?

The IUPAC name of ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (CID 144806668) is ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.

What is the SMILES notation for ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?

The canonical SMILES for ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is CC.COC(=O)Nc1ncc2c(c1Cl)-c1cc(Cl)c(OCC(C)CC(C)N)cc1OC2.

What is the InChIKey of ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?

The InChIKey is HNZDSJYGJQNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4.C2H6/c1-10(4-11(2)23)8-28-16-6-15-13(5-14(16)21)17-12(9-29-15)7-24-19(18(17)22)25-20(26)27-3;1-2/h5-7,10-11H,4,8-9,23H2,1-3H3,(H,24,25,26);1-2H3.

What are the key properties of ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?

ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate has a molecular weight of 470.40 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methyl N-[8-(4-amino-2-methylpentoxy)-1,9-dichloro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 144806668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).