5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

C34H40FN5O4 — CID 134394422

About 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one

5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (PubChem CID 134394422) has the molecular formula C34H40FN5O4 and a molecular weight of 601.72 g/mol. Its IUPAC name is 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• PubChem CID: 134394422
• Molecular Formula: C34H40FN5O4
• Molecular Weight: 601.72 g/mol
• Exact Mass: 601.31
• IUPAC Name: 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• SMILES: Cc1ccnc(N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)c1
• InChI: InChI=1S/C34H40FN5O4/c1-23-8-13-37-31(18-23)40-16-17-44-34(22-40)10-14-39(15-11-34)21-24-2-5-28(35)25(19-24)9-12-36-20-30(42)26-3-6-29(41)33-27(26)4-7-32(43)38-33/h2-8,13,18-19,30,36,41-42H,9-12,14-17,20-22H2,1H3,(H,38,43)/t30-/m0/s1
• InChIKey: YHRVEKQTCNZPOY-PMERELPUSA-N
• XLogP: 3.81
• TPSA: 113.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.72
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The IUPAC name of 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one (CID 134394422) is 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

What is the SMILES notation for 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The canonical SMILES for 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is Cc1ccnc(N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)c1.

What is the InChIKey of 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

The InChIKey is YHRVEKQTCNZPOY-PMERELPUSA-N. The full InChI is InChI=1S/C34H40FN5O4/c1-23-8-13-37-31(18-23)40-16-17-44-34(22-40)10-14-39(15-11-34)21-24-2-5-28(35)25(19-24)9-12-36-20-30(42)26-3-6-29(41)33-27(26)4-7-32(43)38-33/h2-8,13,18-19,30,36,41-42H,9-12,14-17,20-22H2,1H3,(H,38,43)/t30-/m0/s1.

What are the key properties of 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one?

5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one has a molecular weight of 601.72 g/mol, XLogP of 3.81, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-2-[2-[2-fluoro-5-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 134394422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).