2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

C20H19ClN2 — CID 121370928

IUPAC2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCc1ccc2nc3c(c(Cl)c2c1)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19ClN2/c1-14-7-8-18-16(11-14)20(21)17-13-23(10-9-19(17)22-18)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyASRNCPZVKUSPGT-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.75
Rot. Bonds2

About 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (PubChem CID 121370928) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
PubChem CID121370928
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCc1ccc2nc3c(c(Cl)c2c1)CN(Cc1ccccc1)CC3
InChIInChI=1S/C20H19ClN2/c1-14-7-8-18-16(11-14)20(21)17-13-23(10-9-19(17)22-18)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyASRNCPZVKUSPGT-UHFFFAOYSA-N
XLogP4.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The IUPAC name of 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (CID 121370928) is 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.
What is the SMILES notation for 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The canonical SMILES for 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is Cc1ccc2nc3c(c(Cl)c2c1)CN(Cc1ccccc1)CC3.
What is the InChIKey of 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The InChIKey is ASRNCPZVKUSPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c1-14-7-8-18-16(11-14)20(21)17-13-23(10-9-19(17)22-18)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine has a molecular weight of 322.84 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is sourced from PubChem (CID 121370928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).