2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine

C24H28N4 — CID 67457871

IUPAC2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine
SMILESCC1=CC=CC23NC(CCc4ccc(C(C)(C)N)cc4)=CC=C2C(N)=CN=C13
InChIInChI=1S/C24H28N4/c1-16-5-4-14-24-20(21(25)15-27-22(16)24)13-12-19(28-24)11-8-17-6-9-18(10-7-17)23(2,3)26/h4-7,9-10,12-15,28H,8,11,25-26H2,1-3H3
InChIKeyHBSWLWFBFZESAL-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.74
Rot. Bonds4

About 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine

2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine (PubChem CID 67457871) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine
PubChem CID67457871
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine
SMILESCC1=CC=CC23NC(CCc4ccc(C(C)(C)N)cc4)=CC=C2C(N)=CN=C13
InChIInChI=1S/C24H28N4/c1-16-5-4-14-24-20(21(25)15-27-22(16)24)13-12-19(28-24)11-8-17-6-9-18(10-7-17)23(2,3)26/h4-7,9-10,12-15,28H,8,11,25-26H2,1-3H3
InChIKeyHBSWLWFBFZESAL-UHFFFAOYSA-N
XLogP3.74
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine?
The IUPAC name of 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine (CID 67457871) is 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine is CC1=CC=CC23NC(CCc4ccc(C(C)(C)N)cc4)=CC=C2C(N)=CN=C13.
What is the InChIKey of 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine?
The InChIKey is HBSWLWFBFZESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-16-5-4-14-24-20(21(25)15-27-22(16)24)13-12-19(28-24)11-8-17-6-9-18(10-7-17)23(2,3)26/h4-7,9-10,12-15,28H,8,11,25-26H2,1-3H3.
What are the key properties of 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine?
2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine has a molecular weight of 372.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine is sourced from PubChem (CID 67457871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).