2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine

C20H21N3O — CID 10495879

IUPAC2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
SMILESCOc1ccc2nc3c(c(N)c2c1)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H21N3O/c1-24-15-7-8-18-17(11-15)20(21)16-9-10-23(13-19(16)22-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H2,21,22)
InChIKeyUADZNSHVHZEIHE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.38
Rot. Bonds3

About 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine

2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine (PubChem CID 10495879) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
PubChem CID10495879
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
SMILESCOc1ccc2nc3c(c(N)c2c1)CCN(Cc1ccccc1)C3
InChIInChI=1S/C20H21N3O/c1-24-15-7-8-18-17(11-15)20(21)16-9-10-23(13-19(16)22-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H2,21,22)
InChIKeyUADZNSHVHZEIHE-UHFFFAOYSA-N
XLogP3.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
7-benzyl-2-(methoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135997459
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23940115
2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
CID 10569367
2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 164597055
2-tert-butyl-7-[(3-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865825
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731661
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine?
The IUPAC name of 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine (CID 10495879) is 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine is COc1ccc2nc3c(c(N)c2c1)CCN(Cc1ccccc1)C3.
What is the InChIKey of 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine?
The InChIKey is UADZNSHVHZEIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-15-7-8-18-17(11-15)20(21)16-9-10-23(13-19(16)22-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H2,21,22).
What are the key properties of 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine?
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine has a molecular weight of 319.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine is sourced from PubChem (CID 10495879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).