1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one

C26H28N4O — CID 177122934

About 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one (PubChem CID 177122934) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one
• PubChem CID: 177122934
• Molecular Formula: C26H28N4O
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.23
• IUPAC Name: 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one
• SMILES: CC(C)c1ccc(-c2cc3c(cn2)N(c2ccc4c(c2)CCC(=O)N4C)CCC3)cn1
• InChI: InChI=1S/C26H28N4O/c1-17(2)22-9-6-20(15-27-22)23-14-18-5-4-12-30(25(18)16-28-23)21-8-10-24-19(13-21)7-11-26(31)29(24)3/h6,8-10,13-17H,4-5,7,11-12H2,1-3H3
• InChIKey: GIHKSUQZSNVOJM-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one (CID 177122934) is 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one is CC(C)c1ccc(-c2cc3c(cn2)N(c2ccc4c(c2)CCC(=O)N4C)CCC3)cn1.

What is the InChIKey of 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one?

The InChIKey is GIHKSUQZSNVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-17(2)22-9-6-20(15-27-22)23-14-18-5-4-12-30(25(18)16-28-23)21-8-10-24-19(13-21)7-11-26(31)29(24)3/h6,8-10,13-17H,4-5,7,11-12H2,1-3H3.

What are the key properties of 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one?

1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 412.54 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 177122934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).