3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one

C22H26Cl2N4O — CID 5328723

IUPAC3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNc1cc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc2cn1
InChIInChI=1S/C22H26Cl2N4O/c1-3-28(4-2)11-6-5-10-25-20-13-19-15(14-26-20)12-16(22(29)27-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyOMTMSMIIXGDMJB-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.43
Rot. Bonds9

About 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one (PubChem CID 5328723) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one
PubChem CID5328723
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNc1cc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc2cn1
InChIInChI=1S/C22H26Cl2N4O/c1-3-28(4-2)11-6-5-10-25-20-13-19-15(14-26-20)12-16(22(29)27-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyOMTMSMIIXGDMJB-UHFFFAOYSA-N
XLogP5.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one (CID 5328723) is 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one is CCN(CC)CCCCNc1cc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc2cn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one?
The InChIKey is OMTMSMIIXGDMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O/c1-3-28(4-2)11-6-5-10-25-20-13-19-15(14-26-20)12-16(22(29)27-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one has a molecular weight of 433.38 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).