6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one

C17H17FN4O — CID 97152784

IUPAC6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](c1ccncn1)N(C)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C17H17FN4O/c1-11(15-5-6-19-10-20-15)22(2)9-13-8-17(23)14-7-12(18)3-4-16(14)21-13/h3-8,10-11H,9H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyZGCDNQIYQUXMDI-LLVKDONJSA-N
MW312.35 g/mol
LogP2.65
Rot. Bonds4

About 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one

6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97152784) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
PubChem CID97152784
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
SMILESC[C@H](c1ccncn1)N(C)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C17H17FN4O/c1-11(15-5-6-19-10-20-15)22(2)9-13-8-17(23)14-7-12(18)3-4-16(14)21-13/h3-8,10-11H,9H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyZGCDNQIYQUXMDI-LLVKDONJSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
CID 135103590
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
7-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56711742
2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 20931329
2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72881161
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99928265
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 97137062
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
6-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
CID 22580252

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one (CID 97152784) is 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one is C[C@H](c1ccncn1)N(C)Cc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is ZGCDNQIYQUXMDI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11(15-5-6-19-10-20-15)22(2)9-13-8-17(23)14-7-12(18)3-4-16(14)21-13/h3-8,10-11H,9H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 312.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97152784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).