(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine

C13H13N3 — CID 129301090

IUPAC(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine
SMILESC[C@]12C=CC=CC1=CN=C1C(N)=CC=NC12
InChIInChI=1S/C13H13N3/c1-13-6-3-2-4-9(13)8-16-11-10(14)5-7-15-12(11)13/h2-8,12H,14H2,1H3/t12?,13-/m0/s1
InChIKeyGUKXUCMVGNNDCX-ABLWVSNPSA-N
MW211.27 g/mol
LogP1.75
Rot. Bonds

About (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine

(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine (PubChem CID 129301090) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine.

Molecular Properties

Compound Name(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine
PubChem CID129301090
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine
SMILESC[C@]12C=CC=CC1=CN=C1C(N)=CC=NC12
InChIInChI=1S/C13H13N3/c1-13-6-3-2-4-9(13)8-16-11-10(14)5-7-15-12(11)13/h2-8,12H,14H2,1H3/t12?,13-/m0/s1
InChIKeyGUKXUCMVGNNDCX-ABLWVSNPSA-N
XLogP1.75
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine?
The IUPAC name of (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine (CID 129301090) is (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine.
What is the SMILES notation for (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine?
The canonical SMILES for (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine is C[C@]12C=CC=CC1=CN=C1C(N)=CC=NC12.
What is the InChIKey of (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine?
The InChIKey is GUKXUCMVGNNDCX-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H13N3/c1-13-6-3-2-4-9(13)8-16-11-10(14)5-7-15-12(11)13/h2-8,12H,14H2,1H3/t12?,13-/m0/s1.
What are the key properties of (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine?
(10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine has a molecular weight of 211.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-10a-methyl-10bH-benzo[c][1,5]naphthyridin-4-amine is sourced from PubChem (CID 129301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).