2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol

C24H28N4O — CID 129244872

IUPAC2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1C1=CCCCC1
InChIInChI=1S/C24H28N4O/c1-17-21(19-6-3-2-4-7-19)8-5-9-22(17)28-24-23-20(10-11-26-24)14-18(16-27-23)15-25-12-13-29/h5-6,8-11,14,16,25,29H,2-4,7,12-13,15H2,1H3,(H,26,28)
InChIKeyLJLVJVZWMANIBX-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.72
Rot. Bonds7

About 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol

2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol (PubChem CID 129244872) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol
PubChem CID129244872
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol
SMILESCc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1C1=CCCCC1
InChIInChI=1S/C24H28N4O/c1-17-21(19-6-3-2-4-7-19)8-5-9-22(17)28-24-23-20(10-11-26-24)14-18(16-27-23)15-25-12-13-29/h5-6,8-11,14,16,25,29H,2-4,7,12-13,15H2,1H3,(H,26,28)
InChIKeyLJLVJVZWMANIBX-UHFFFAOYSA-N
XLogP4.72
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol with MolForge

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Related Compounds

6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 9863786
US11535615, Example 5
CID 129244901
Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)
CID 3068867
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
(2R)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 10937337
CID 2971918
CID 2971918
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazine-Pyridine Biheteroaryl 11
CID 5330359
2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol (CID 129244872) is 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol is Cc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1C1=CCCCC1.
What is the InChIKey of 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol?
The InChIKey is LJLVJVZWMANIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-21(19-6-3-2-4-7-19)8-5-9-22(17)28-24-23-20(10-11-26-24)14-18(16-27-23)15-25-12-13-29/h5-6,8-11,14,16,25,29H,2-4,7,12-13,15H2,1H3,(H,26,28).
What are the key properties of 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol?
2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol has a molecular weight of 388.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[3-(cyclohexen-1-yl)-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]ethanol is sourced from PubChem (CID 129244872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).