4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol

C17H19N3O — CID 123892327

IUPAC4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccnc2c(N)nc3ccccc3c12
InChIInChI=1S/C17H19N3O/c1-17(2,21)9-7-11-8-10-19-15-14(11)12-5-3-4-6-13(12)20-16(15)18/h3-6,8,10,21H,7,9H2,1-2H3,(H2,18,20)
InChIKeyCOEIINMTAGOVID-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds3

About 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol

4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol (PubChem CID 123892327) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol
PubChem CID123892327
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccnc2c(N)nc3ccccc3c12
InChIInChI=1S/C17H19N3O/c1-17(2,21)9-7-11-8-10-19-15-14(11)12-5-3-4-6-13(12)20-16(15)18/h3-6,8,10,21H,7,9H2,1-2H3,(H2,18,20)
InChIKeyCOEIINMTAGOVID-UHFFFAOYSA-N
XLogP3.07
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoquinolin-4-yl)-2-methylbutan-2-ol;ethane
CID 123547885
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]-3-methylbenzoyl chloride
CID 87366337
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-1-yl)ethyl]phenyl]acetonitrile
CID 123464625
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524
ethane;1-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 143094152
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol (CID 123892327) is 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCc1ccnc2c(N)nc3ccccc3c12.
What is the InChIKey of 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol?
The InChIKey is COEIINMTAGOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,21)9-7-11-8-10-19-15-14(11)12-5-3-4-6-13(12)20-16(15)18/h3-6,8,10,21H,7,9H2,1-2H3,(H2,18,20).
What are the key properties of 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol?
4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol has a molecular weight of 281.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminobenzo[f][1,7]naphthyridin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 123892327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).