7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine

C18H18BrN3O2 — CID 133481963

IUPAC7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
SMILESCOCCOc1ccc(CNc2ccnc3cc(Br)cnc23)cc1
InChIInChI=1S/C18H18BrN3O2/c1-23-8-9-24-15-4-2-13(3-5-15)11-21-16-6-7-20-17-10-14(19)12-22-18(16)17/h2-7,10,12H,8-9,11H2,1H3,(H,20,21)
InChIKeySONOULAYHCUAKF-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.03
Rot. Bonds7

About 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine

7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 133481963) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
PubChem CID133481963
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
SMILESCOCCOc1ccc(CNc2ccnc3cc(Br)cnc23)cc1
InChIInChI=1S/C18H18BrN3O2/c1-23-8-9-24-15-4-2-13(3-5-15)11-21-16-6-7-20-17-10-14(19)12-22-18(16)17/h2-7,10,12H,8-9,11H2,1H3,(H,20,21)
InChIKeySONOULAYHCUAKF-UHFFFAOYSA-N
XLogP4.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133481732
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 104762658
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-bromo-8-[3-(2-methoxyethoxy)propoxy]-1,5-naphthyridine
CID 103404124
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine (CID 133481963) is 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine is COCCOc1ccc(CNc2ccnc3cc(Br)cnc23)cc1.
What is the InChIKey of 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine?
The InChIKey is SONOULAYHCUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-23-8-9-24-15-4-2-13(3-5-15)11-21-16-6-7-20-17-10-14(19)12-22-18(16)17/h2-7,10,12H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133481963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).