8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C19H23ClN4O2 — CID 11202624

IUPAC8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-4-5-8-21-15-9-12(2)22-19-18(15)23-17(25)11-24(19)16-7-6-13(26-3)10-14(16)20/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeySDJLQXJVHZWCFR-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.35
Rot. Bonds6

About 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11202624) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11202624
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-4-5-8-21-15-9-12(2)22-19-18(15)23-17(25)11-24(19)16-7-6-13(26-3)10-14(16)20/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeySDJLQXJVHZWCFR-UHFFFAOYSA-N
XLogP4.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
8-[Butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11420977
8-[Butyl(ethyl)amino]-4-(2-chloro-5-fluoro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11785948
4-(2-Chloro-5-fluoro-4-methoxy-phenyl)-8-(ethyl-isopropyl-amino)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 11211931
8-(Butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11202623
4-(2-Chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11431118
6-(2-Chloro-4-methoxyanilino)-1-cyclopentyl-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220194
1-(2-Chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 75435298
N-(2-chlorophenyl)-4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796643
2-chloro-6-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11710780
6-chloro-4-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 57941079
7-[[3-[(4-Fluorophenoxy)methyl]cyclobutyl]amino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202653

Frequently Asked Questions

What is the IUPAC name of 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11202624) is 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.
What is the InChIKey of 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is SDJLQXJVHZWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-4-5-8-21-15-9-12(2)22-19-18(15)23-17(25)11-24(19)16-7-6-13(26-3)10-14(16)20/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 374.87 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11202624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).