2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine

C19H16Cl2N2 — CID 10569367

IUPAC2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
SMILESClc1cccc2nc3c(c(Cl)c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C19H16Cl2N2/c20-15-7-4-8-16-18(15)19(21)14-9-10-23(12-17(14)22-16)11-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyFDLYKRPQUIMHDN-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.10
Rot. Bonds2

About 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine

2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine (PubChem CID 10569367) has the molecular formula C19H16Cl2N2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
PubChem CID10569367
Molecular FormulaC19H16Cl2N2
Molecular Weight343.26 g/mol
Exact Mass342.07
IUPAC Name2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
SMILESClc1cccc2nc3c(c(Cl)c12)CCN(Cc1ccccc1)C3
InChIInChI=1S/C19H16Cl2N2/c20-15-7-4-8-16-18(15)19(21)14-9-10-23(12-17(14)22-16)11-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyFDLYKRPQUIMHDN-UHFFFAOYSA-N
XLogP5.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
4-(7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenol
CID 155345009
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
CID 10495879
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
N,7-dibenzyl-2-methyl-N-prop-2-ynyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92565018
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
7-benzyl-2-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865757
5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine?
The IUPAC name of 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine (CID 10569367) is 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine.
What is the SMILES notation for 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine?
The canonical SMILES for 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine is Clc1cccc2nc3c(c(Cl)c12)CCN(Cc1ccccc1)C3.
What is the InChIKey of 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine?
The InChIKey is FDLYKRPQUIMHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2/c20-15-7-4-8-16-18(15)19(21)14-9-10-23(12-17(14)22-16)11-13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine?
2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine has a molecular weight of 343.26 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine is sourced from PubChem (CID 10569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).