N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide

C33H35ClFN3O5 — CID 168861278

About N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide

N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide (PubChem CID 168861278) has the molecular formula C33H35ClFN3O5 and a molecular weight of 608.11 g/mol. Its IUPAC name is N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide
• PubChem CID: 168861278
• Molecular Formula: C33H35ClFN3O5
• Molecular Weight: 608.11 g/mol
• Exact Mass: 607.22
• IUPAC Name: N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide
• SMILES: Cc1cnc2c(OC3CC3)cc(C(=O)NCC(O)(CC(C)O)c3cc(C(C)(C)O)c(Cl)c(-c4ccc(F)cc4)n3)cc2c1
• InChI: InChI=1S/C33H35ClFN3O5/c1-18-11-21-12-22(13-26(29(21)36-16-18)43-24-9-10-24)31(40)37-17-33(42,15-19(2)39)27-14-25(32(3,4)41)28(34)30(38-27)20-5-7-23(35)8-6-20/h5-8,11-14,16,19,24,39,41-42H,9-10,15,17H2,1-4H3,(H,37,40)
• InChIKey: VDLLCWPGUBQWEV-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 124.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.11
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide?

The IUPAC name of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide (CID 168861278) is N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide.

What is the SMILES notation for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide?

The canonical SMILES for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide is Cc1cnc2c(OC3CC3)cc(C(=O)NCC(O)(CC(C)O)c3cc(C(C)(C)O)c(Cl)c(-c4ccc(F)cc4)n3)cc2c1.

What is the InChIKey of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide?

The InChIKey is VDLLCWPGUBQWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClFN3O5/c1-18-11-21-12-22(13-26(29(21)36-16-18)43-24-9-10-24)31(40)37-17-33(42,15-19(2)39)27-14-25(32(3,4)41)28(34)30(38-27)20-5-7-23(35)8-6-20/h5-8,11-14,16,19,24,39,41-42H,9-10,15,17H2,1-4H3,(H,37,40).

What are the key properties of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide?

N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide has a molecular weight of 608.11 g/mol, XLogP of 5.55, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 168861278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).