9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine

C13H14FN3 — CID 139838749

IUPAC9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCc2nc3cccc(F)c3c(N)c2C1
InChIInChI=1S/C13H14FN3/c1-17-6-5-10-8(7-17)13(15)12-9(14)3-2-4-11(12)16-10/h2-4H,5-7H2,1H3,(H2,15,16)
InChIKeyDLGVNWNCWJVRSP-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.94
Rot. Bonds

About 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine

9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine (PubChem CID 139838749) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine.

Molecular Properties

Compound Name9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine
PubChem CID139838749
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine
SMILESCN1CCc2nc3cccc(F)c3c(N)c2C1
InChIInChI=1S/C13H14FN3/c1-17-6-5-10-8(7-17)13(15)12-9(14)3-2-4-11(12)16-10/h2-4H,5-7H2,1H3,(H2,15,16)
InChIKeyDLGVNWNCWJVRSP-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-6-ol
CID 115008512
2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82449929
(8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)hydrazine
CID 15631971
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
CID 612726
N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
7,8-difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 54485641
6-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489471
5-methyl-2-quinoxalin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907802
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489469
10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one
CID 15728817
4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 110458909

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The IUPAC name of 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine (CID 139838749) is 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine.
What is the SMILES notation for 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The canonical SMILES for 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine is CN1CCc2nc3cccc(F)c3c(N)c2C1.
What is the InChIKey of 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine?
The InChIKey is DLGVNWNCWJVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-6-5-10-8(7-17)13(15)12-9(14)3-2-4-11(12)16-10/h2-4H,5-7H2,1H3,(H2,15,16).
What are the key properties of 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine?
9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine has a molecular weight of 231.27 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-amine is sourced from PubChem (CID 139838749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).