8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine

C20H20ClN3O — CID 67942902

IUPAC8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine
SMILESCOc1cccc(CN2CCCc3c2nc2cc(Cl)ccc2c3N)c1
InChIInChI=1S/C20H20ClN3O/c1-25-15-5-2-4-13(10-15)12-24-9-3-6-17-19(22)16-8-7-14(21)11-18(16)23-20(17)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H2,22,23)
InChIKeyGBYZZCOYISMZCK-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.43
Rot. Bonds3

About 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine

8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine (PubChem CID 67942902) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine
PubChem CID67942902
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine
SMILESCOc1cccc(CN2CCCc3c2nc2cc(Cl)ccc2c3N)c1
InChIInChI=1S/C20H20ClN3O/c1-25-15-5-2-4-13(10-15)12-24-9-3-6-17-19(22)16-8-7-14(21)11-18(16)23-20(17)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H2,22,23)
InChIKeyGBYZZCOYISMZCK-UHFFFAOYSA-N
XLogP4.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine (CID 67942902) is 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine is COc1cccc(CN2CCCc3c2nc2cc(Cl)ccc2c3N)c1.
What is the InChIKey of 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The InChIKey is GBYZZCOYISMZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-25-15-5-2-4-13(10-15)12-24-9-3-6-17-19(22)16-8-7-14(21)11-18(16)23-20(17)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H2,22,23).
What are the key properties of 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine?
8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine has a molecular weight of 353.85 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 67942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).