[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine

C26H24ClN3 — CID 127038712

IUPAC[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3Cc2ccccc2)cc1
InChIInChI=1S/C26H24ClN3/c27-21-12-13-24-23(15-21)26-22(25(29-24)20-10-8-18(16-28)9-11-20)7-4-14-30(26)17-19-5-2-1-3-6-19/h1-3,5-6,8-13,15H,4,7,14,16-17,28H2
InChIKeyHXLMJVCDXJRRBY-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.97
Rot. Bonds4

About [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine

[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine (PubChem CID 127038712) has the molecular formula C26H24ClN3 and a molecular weight of 413.95 g/mol. Its IUPAC name is [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine
PubChem CID127038712
Molecular FormulaC26H24ClN3
Molecular Weight413.95 g/mol
Exact Mass413.17
IUPAC Name[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3Cc2ccccc2)cc1
InChIInChI=1S/C26H24ClN3/c27-21-12-13-24-23(15-21)26-22(25(29-24)20-10-8-18(16-28)9-11-20)7-4-14-30(26)17-19-5-2-1-3-6-19/h1-3,5-6,8-13,15H,4,7,14,16-17,28H2
InChIKeyHXLMJVCDXJRRBY-UHFFFAOYSA-N
XLogP5.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine with MolForge

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Related Compounds

[4-(10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinolin-6-yl)phenyl]methanamine
CID 127038024
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
9-(3-chlorophenyl)-10-azatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 102408042
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
3-[[3-(aminomethyl)phenyl]methyl]-6-chloro-2-(2-phenylethyl)quinazolin-4-one
CID 22484670
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 58307054
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429789
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472965
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine?
The IUPAC name of [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine (CID 127038712) is [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3Cc2ccccc2)cc1.
What is the InChIKey of [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine?
The InChIKey is HXLMJVCDXJRRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3/c27-21-12-13-24-23(15-21)26-22(25(29-24)20-10-8-18(16-28)9-11-20)7-4-14-30(26)17-19-5-2-1-3-6-19/h1-3,5-6,8-13,15H,4,7,14,16-17,28H2.
What are the key properties of [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine?
[4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine has a molecular weight of 413.95 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzyl-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridin-5-yl)phenyl]methanamine is sourced from PubChem (CID 127038712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).