2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine

C19H19ClN2 — CID 10543026

IUPAC2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
SMILESClc1ccc2c(c1)C1=CN(Cc3ccccc3)CCC1CN2
InChIInChI=1S/C19H19ClN2/c20-16-6-7-19-17(10-16)18-13-22(9-8-15(18)11-21-19)12-14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,11-12H2
InChIKeyQEGORHWSBTUVCJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.63
Rot. Bonds2

About 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine

2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine (PubChem CID 10543026) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine.

Molecular Properties

Compound Name2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
PubChem CID10543026
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
SMILESClc1ccc2c(c1)C1=CN(Cc3ccccc3)CCC1CN2
InChIInChI=1S/C19H19ClN2/c20-16-6-7-19-17(10-16)18-13-22(9-8-15(18)11-21-19)12-14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,11-12H2
InChIKeyQEGORHWSBTUVCJ-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-9-methoxy-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10804604
2-benzyl-8-fluoro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10541833
7-benzyl-4,4a,5,6-tetrahydro-1H-pyrido[3,4-d]pyrimidine
CID 90980384
2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
CID 10733595
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole
CID 102339939
3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one
CID 139817344
(3S)-8-chloro-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481104
1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
7-chloro-5-phenyl-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-1,4-benzodiazepine chloride
CID 21116263
3-benzyl-9-chloro-4-(6-chloro-1,3-benzodioxol-5-yl)-2,4,5,6-tetrahydro-1H-benzo[c][2,7]naphthyridine
CID 143312503
5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine
CID 129251723

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The IUPAC name of 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine (CID 10543026) is 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine.
What is the SMILES notation for 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The canonical SMILES for 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine is Clc1ccc2c(c1)C1=CN(Cc3ccccc3)CCC1CN2.
What is the InChIKey of 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
The InChIKey is QEGORHWSBTUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c20-16-6-7-19-17(10-16)18-13-22(9-8-15(18)11-21-19)12-14-4-2-1-3-5-14/h1-7,10,13,15,21H,8-9,11-12H2.
What are the key properties of 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine?
2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine has a molecular weight of 310.83 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine is sourced from PubChem (CID 10543026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).