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

C21H27ClN4O2 — CID 11420978

IUPAC8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C21H27ClN4O2/c1-5-7-10-25(6-2)18-11-14(3)23-21-20(18)24-19(27)13-26(21)17-9-8-15(28-4)12-16(17)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,24,27)
InChIKeyHIWZQHWIEHZKPN-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.77
Rot. Bonds7

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

8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11420978) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11420978
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl
InChIInChI=1S/C21H27ClN4O2/c1-5-7-10-25(6-2)18-11-14(3)23-21-20(18)24-19(27)13-26(21)17-9-8-15(28-4)12-16(17)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,24,27)
InChIKeyHIWZQHWIEHZKPN-UHFFFAOYSA-N
XLogP4.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11420978) is 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.
What is the InChIKey of 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is HIWZQHWIEHZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-5-7-10-25(6-2)18-11-14(3)23-21-20(18)24-19(27)13-26(21)17-9-8-15(28-4)12-16(17)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,24,27).
What are the key properties of 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 402.93 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11420978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).