2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide

C31H40N6O3 — CID 164767356

About 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide

2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide (PubChem CID 164767356) has the molecular formula C31H40N6O3 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide
• PubChem CID: 164767356
• Molecular Formula: C31H40N6O3
• Molecular Weight: 544.70 g/mol
• Exact Mass: 544.32
• IUPAC Name: 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide
• SMILES: CCc1nc(-c2cc(C(=O)N(C)Cc3onc(CC)c3C)c3cc(COC)ccc3n2)ccc1NCCN(C)C
• InChI: InChI=1S/C31H40N6O3/c1-8-24-20(3)30(40-35-24)18-37(6)31(38)23-17-29(34-26-11-10-21(19-39-7)16-22(23)26)28-13-12-27(25(9-2)33-28)32-14-15-36(4)5/h10-13,16-17,32H,8-9,14-15,18-19H2,1-7H3
• InChIKey: FUKUYZRNVCXDRY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 96.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.70
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide?

The IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide (CID 164767356) is 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide.

What is the SMILES notation for 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide?

The canonical SMILES for 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide is CCc1nc(-c2cc(C(=O)N(C)Cc3onc(CC)c3C)c3cc(COC)ccc3n2)ccc1NCCN(C)C.

What is the InChIKey of 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide?

The InChIKey is FUKUYZRNVCXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3/c1-8-24-20(3)30(40-35-24)18-37(6)31(38)23-17-29(34-26-11-10-21(19-39-7)16-22(23)26)28-13-12-27(25(9-2)33-28)32-14-15-36(4)5/h10-13,16-17,32H,8-9,14-15,18-19H2,1-7H3.

What are the key properties of 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide?

2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide has a molecular weight of 544.70 g/mol, XLogP of 5.11, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(dimethylamino)ethylamino]-6-ethyl-2-pyridinyl]-N-[(3-ethyl-4-methyl-1,2-oxazol-5-yl)methyl]-6-(methoxymethyl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 164767356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).