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

C17H17FN4O — CID 72932525

IUPAC6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
SMILESCC(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)
InChIKeyZGCDNQIYQUXMDI-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.65
Rot. Bonds4

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

6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one (PubChem CID 72932525) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
PubChem CID72932525
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
SMILESCC(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)
InChIKeyZGCDNQIYQUXMDI-UHFFFAOYSA-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

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Related Compounds

6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
5-[(2-methylphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974957
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2,4-Diamino-5-ketopyrimidine 20
CID 11975202
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one (CID 72932525) is 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one is CC(c1ccncn1)N(C)Cc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
The InChIKey is ZGCDNQIYQUXMDI-UHFFFAOYSA-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).
What are the key properties of 6-fluoro-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[methyl(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(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72932525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).