N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen

C30H42F2N6O3 — CID 163289563

About N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen

N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen (PubChem CID 163289563) has the molecular formula C30H42F2N6O3 and a molecular weight of 572.70 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
• PubChem CID: 163289563
• Molecular Formula: C30H42F2N6O3
• Molecular Weight: 572.70 g/mol
• Exact Mass: 572.33
• IUPAC Name: N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
• SMILES: CC.CC.COCCn1c(=O)n(C)c2cnc3ccc(-c4c(F)cc(NC(=O)N5CCN(C)CC5)cc4F)cc3c21.[H][H]
• InChI: InChI=1S/C26H28F2N6O3.2C2H6.H2/c1-31-6-8-33(9-7-31)25(35)30-17-13-19(27)23(20(28)14-17)16-4-5-21-18(12-16)24-22(15-29-21)32(2)26(36)34(24)10-11-37-3;2*1-2;/h4-5,12-15H,6-11H2,1-3H3,(H,30,35);2*1-2H3;1H
• InChIKey: PKHLGVGYMSDMNV-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 84.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.70
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?

The IUPAC name of N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen (CID 163289563) is N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen.

What is the SMILES notation for N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?

The canonical SMILES for N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen is CC.CC.COCCn1c(=O)n(C)c2cnc3ccc(-c4c(F)cc(NC(=O)N5CCN(C)CC5)cc4F)cc3c21.[H][H].

What is the InChIKey of N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?

The InChIKey is PKHLGVGYMSDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3.2C2H6.H2/c1-31-6-8-33(9-7-31)25(35)30-17-13-19(27)23(20(28)14-17)16-4-5-21-18(12-16)24-22(15-29-21)32(2)26(36)34(24)10-11-37-3;2*1-2;/h4-5,12-15H,6-11H2,1-3H3,(H,30,35);2*1-2H3;1H.

What are the key properties of N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?

N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 572.70 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 163289563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).