2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile

C24H23N5O — CID 86747551

IUPAC2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile
SMILESCCCCc1c2c(nc3c1CCc1cc4nc(C#N)c(N)cc4nc1-3)C(=O)CCC2
InChIInChI=1S/C24H23N5O/c1-2-3-5-14-15-6-4-7-21(30)23(15)29-24-16(14)9-8-13-10-18-19(28-22(13)24)11-17(26)20(12-25)27-18/h10-11H,2-9,26H2,1H3
InChIKeyYFSGMEIWSHYQLI-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.11
Rot. Bonds3

About 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile

2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile (PubChem CID 86747551) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile
PubChem CID86747551
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile
SMILESCCCCc1c2c(nc3c1CCc1cc4nc(C#N)c(N)cc4nc1-3)C(=O)CCC2
InChIInChI=1S/C24H23N5O/c1-2-3-5-14-15-6-4-7-21(30)23(15)29-24-16(14)9-8-13-10-18-19(28-22(13)24)11-17(26)20(12-25)27-18/h10-11H,2-9,26H2,1H3
InChIKeyYFSGMEIWSHYQLI-UHFFFAOYSA-N
XLogP4.11
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile?
The IUPAC name of 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile (CID 86747551) is 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile.
What is the SMILES notation for 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile?
The canonical SMILES for 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile is CCCCc1c2c(nc3c1CCc1cc4nc(C#N)c(N)cc4nc1-3)C(=O)CCC2.
What is the InChIKey of 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile?
The InChIKey is YFSGMEIWSHYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-3-5-14-15-6-4-7-21(30)23(15)29-24-16(14)9-8-13-10-18-19(28-22(13)24)11-17(26)20(12-25)27-18/h10-11H,2-9,26H2,1H3.
What are the key properties of 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile?
2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-butyl-12-oxo-7,9,10,11-tetrahydro-6H-1,5-naphthyridino[3,2-c]acridine-3-carbonitrile is sourced from PubChem (CID 86747551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).