2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid

C17H16F2N2O3 — CID 166317263

IUPAC2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cnc3c(F)ccc(F)c3c2)CCC1
InChIInChI=1S/C17H16F2N2O3/c18-12-2-3-13(19)15-11(12)6-10(8-20-15)16(24)21-9-17(4-1-5-17)7-14(22)23/h2-3,6,8H,1,4-5,7,9H2,(H,21,24)(H,22,23)
InChIKeySCUIIZSDPOHXOR-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 166317263) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID166317263
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cnc3c(F)ccc(F)c3c2)CCC1
InChIInChI=1S/C17H16F2N2O3/c18-12-2-3-13(19)15-11(12)6-10(8-20-15)16(24)21-9-17(4-1-5-17)7-14(22)23/h2-3,6,8H,1,4-5,7,9H2,(H,21,24)(H,22,23)
InChIKeySCUIIZSDPOHXOR-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
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2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
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2-[1-[[(3,4,5-trichloropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
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2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
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N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
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3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 166317263) is 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)c2cnc3c(F)ccc(F)c3c2)CCC1.
What is the InChIKey of 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is SCUIIZSDPOHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-2-3-13(19)15-11(12)6-10(8-20-15)16(24)21-9-17(4-1-5-17)7-14(22)23/h2-3,6,8H,1,4-5,7,9H2,(H,21,24)(H,22,23).
What are the key properties of 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 334.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5,8-difluoroquinoline-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 166317263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).