[5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

C24H20ClF2N5O4 — CID 139331694

About [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

[5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (PubChem CID 139331694) has the molecular formula C24H20ClF2N5O4 and a molecular weight of 515.90 g/mol. Its IUPAC name is [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• PubChem CID: 139331694
• Molecular Formula: C24H20ClF2N5O4
• Molecular Weight: 515.90 g/mol
• Exact Mass: 515.12
• IUPAC Name: [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
• SMILES: Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1CF
• InChI: InChI=1S/C24H20ClF2N5O4/c1-11-3-19(32-24(34)35)30-12(2)16(11)10-29-23(33)22-18(8-26)31-20(36-22)6-13-4-14-7-15(25)9-28-21(14)17(27)5-13/h3-5,7,9H,6,8,10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)
• InChIKey: ASGLTSILIQHSFR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 130.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.90
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The IUPAC name of [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (CID 139331694) is [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.

What is the SMILES notation for [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The canonical SMILES for [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is Cc1cc(NC(=O)O)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1CF.

What is the InChIKey of [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

The InChIKey is ASGLTSILIQHSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O4/c1-11-3-19(32-24(34)35)30-12(2)16(11)10-29-23(33)22-18(8-26)31-20(36-22)6-13-4-14-7-15(25)9-28-21(14)17(27)5-13/h3-5,7,9H,6,8,10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35).

What are the key properties of [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?

[5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid has a molecular weight of 515.90 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is sourced from PubChem (CID 139331694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).