4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one

C20H15F2N3O2 — CID 25211829

IUPAC4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESO=c1cc(CN(c2nc3ccccc3o2)C2CC2)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C20H15F2N3O2/c21-14-8-7-13-11(9-17(26)24-19(13)18(14)22)10-25(12-5-6-12)20-23-15-3-1-2-4-16(15)27-20/h1-4,7-9,12H,5-6,10H2,(H,24,26)
InChIKeyVPDGAPHTSOYSJD-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.12
Rot. Bonds4

About 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one

4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one (PubChem CID 25211829) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one
PubChem CID25211829
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESO=c1cc(CN(c2nc3ccccc3o2)C2CC2)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C20H15F2N3O2/c21-14-8-7-13-11(9-17(26)24-19(13)18(14)22)10-25(12-5-6-12)20-23-15-3-1-2-4-16(15)27-20/h1-4,7-9,12H,5-6,10H2,(H,24,26)
InChIKeyVPDGAPHTSOYSJD-UHFFFAOYSA-N
XLogP4.12
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one
CID 25212398
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
CID 54999201
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 86794329
7,8-difluoro-4-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1H-quinolin-2-one
CID 24783662
4-[(3-chloro-N-(6-methyl-2-pyridinyl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 71024989
7,8-difluoro-4-[(2-phenyl-5-propan-2-yl-1,2-dihydroimidazol-3-yl)methyl]-1H-quinolin-2-one
CID 24783660
4-[(2-cyclobutylimidazo[4,5-b]pyrazin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25211910
7,8-difluoro-4-[(2-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]-1H-quinolin-2-one
CID 68895507
7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one
CID 143559211
4-[(8-cyclobutyl-6-methylpurin-9-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 68854529

Frequently Asked Questions

What is the IUPAC name of 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one (CID 25211829) is 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one is O=c1cc(CN(c2nc3ccccc3o2)C2CC2)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one?
The InChIKey is VPDGAPHTSOYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-14-8-7-13-11(9-17(26)24-19(13)18(14)22)10-25(12-5-6-12)20-23-15-3-1-2-4-16(15)27-20/h1-4,7-9,12H,5-6,10H2,(H,24,26).
What are the key properties of 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one?
4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one has a molecular weight of 367.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,3-benzoxazol-2-yl(cyclopropyl)amino]methyl]-7,8-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 25211829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).