6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

C16H14Cl2N4O3 — CID 90788011

IUPAC6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCCN(O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OC)c2n1
InChIInChI=1S/C16H14Cl2N4O3/c1-3-21(24)16-19-8-9-7-10(13-11(17)5-4-6-12(13)18)15(23)22(25-2)14(9)20-16/h4-8,24H,3H2,1-2H3
InChIKeyMSCIVJIGGYISGP-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.04
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 90788011) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
PubChem CID90788011
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCCN(O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OC)c2n1
InChIInChI=1S/C16H14Cl2N4O3/c1-3-21(24)16-19-8-9-7-10(13-11(17)5-4-6-12(13)18)15(23)22(25-2)14(9)20-16/h4-8,24H,3H2,1-2H3
InChIKeyMSCIVJIGGYISGP-UHFFFAOYSA-N
XLogP3.04
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
6-(2,6-dichlorophenyl)-2-[5-(hydroxymethyl)-2-methylanilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 25054207
6-(2,6-dichlorophenyl)-2-[4-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichlorophenyl)-2-[4-[(3-hydroxyazetidin-1-yl)methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395672
6-(2,6-dichlorophenyl)-2-[[5-[4-(dimethylamino)butanoyl]-1-methylpyrrol-3-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one;vanadium
CID 161331394
6-(2,6-dichlorophenyl)-2-(4-methanimidoylanilino)-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201090
6-(2,6-dichlorophenyl)-2-[3-[[[(3S)-3-hydroxybutyl]-methylamino]methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 71103525
6-(2,6-dichlorophenyl)-2-[[1-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydropyrrol-4-yl]amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 143658351
2-[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 67334505
6-(2,6-dichlorophenyl)-8-methoxy-2-[4-(2-oxo-5-pyrrolidin-1-ylpentyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395649
6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyazetidin-1-yl)-2-methylanilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201137

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (CID 90788011) is 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is CCN(O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OC)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MSCIVJIGGYISGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-3-21(24)16-19-8-9-7-10(13-11(17)5-4-6-12(13)18)15(23)22(25-2)14(9)20-16/h4-8,24H,3H2,1-2H3.
What are the key properties of 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90788011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).