N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane

C30H35ClN4O3 — CID 145481052

About N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane

N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane (PubChem CID 145481052) has the molecular formula C30H35ClN4O3 and a molecular weight of 535.09 g/mol. Its IUPAC name is N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane.

Molecular Properties

• Compound Name: N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane
• PubChem CID: 145481052
• Molecular Formula: C30H35ClN4O3
• Molecular Weight: 535.09 g/mol
• Exact Mass: 534.24
• IUPAC Name: N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane
• SMILES: CC.Cc1cc(-c2conc2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3CCCCC3)c2n1
• InChI: InChI=1S/C28H29ClN4O3.C2H6/c1-17-11-22(23-16-36-33-18(23)2)21-9-6-10-26(27(21)32-17)35-15-24-20(12-30-14-25(24)29)13-31-28(34)19-7-4-3-5-8-19;1-2/h6,9-12,14,16,19H,3-5,7-8,13,15H2,1-2H3,(H,31,34);1-2H3
• InChIKey: XQNGXHWLXBDMHA-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.09
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane?

The IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane (CID 145481052) is N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane.

What is the SMILES notation for N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane?

The canonical SMILES for N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane is CC.Cc1cc(-c2conc2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3CCCCC3)c2n1.

What is the InChIKey of N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane?

The InChIKey is XQNGXHWLXBDMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3.C2H6/c1-17-11-22(23-16-36-33-18(23)2)21-9-6-10-26(27(21)32-17)35-15-24-20(12-30-14-25(24)29)13-31-28(34)19-7-4-3-5-8-19;1-2/h6,9-12,14,16,19H,3-5,7-8,13,15H2,1-2H3,(H,31,34);1-2H3.

What are the key properties of N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane?

N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane has a molecular weight of 535.09 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane is sourced from PubChem (CID 145481052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).