2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine

C22H21N3 — CID 66892423

IUPAC2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine
SMILESCc1cccc(CC(C)c2cnc3c(N)nc4ccccc4c3c2)c1
InChIInChI=1S/C22H21N3/c1-14-6-5-7-16(10-14)11-15(2)17-12-19-18-8-3-4-9-20(18)25-22(23)21(19)24-13-17/h3-10,12-13,15H,11H2,1-2H3,(H2,23,25)
InChIKeyMZAMMBZKCQYVRH-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.02
Rot. Bonds3

About 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine

2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine (PubChem CID 66892423) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine
PubChem CID66892423
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine
SMILESCc1cccc(CC(C)c2cnc3c(N)nc4ccccc4c3c2)c1
InChIInChI=1S/C22H21N3/c1-14-6-5-7-16(10-14)11-15(2)17-12-19-18-8-3-4-9-20(18)25-22(23)21(19)24-13-17/h3-10,12-13,15H,11H2,1-2H3,(H2,23,25)
InChIKeyMZAMMBZKCQYVRH-UHFFFAOYSA-N
XLogP5.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine (CID 66892423) is 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine is Cc1cccc(CC(C)c2cnc3c(N)nc4ccccc4c3c2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is MZAMMBZKCQYVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-14-6-5-7-16(10-14)11-15(2)17-12-19-18-8-3-4-9-20(18)25-22(23)21(19)24-13-17/h3-10,12-13,15H,11H2,1-2H3,(H2,23,25).
What are the key properties of 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine?
2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 327.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)propan-2-yl]benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 66892423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).