10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one

C21H20N4O2 — CID 171549631

IUPAC10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
SMILESCc1cc(O)c(-c2ccc(C(C)CN)cn2)c2c1[nH]c(=O)c1cccnc12
InChIInChI=1S/C21H20N4O2/c1-11-8-16(26)17(15-6-5-13(10-24-15)12(2)9-22)18-19(11)25-21(27)14-4-3-7-23-20(14)18/h3-8,10,12,26H,9,22H2,1-2H3,(H,25,27)
InChIKeyAZQOKEYSDQOKFN-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.21
Rot. Bonds3

About 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one

10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 171549631) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
PubChem CID171549631
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
SMILESCc1cc(O)c(-c2ccc(C(C)CN)cn2)c2c1[nH]c(=O)c1cccnc12
InChIInChI=1S/C21H20N4O2/c1-11-8-16(26)17(15-6-5-13(10-24-15)12(2)9-22)18-19(11)25-21(27)14-4-3-7-23-20(14)18/h3-8,10,12,26H,9,22H2,1-2H3,(H,25,27)
InChIKeyAZQOKEYSDQOKFN-UHFFFAOYSA-N
XLogP3.21
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-fluoro-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234953
10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
CID 174315658
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[f][1,7]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549962
1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
CID 171549666
10-[(1Z,3E)-1-(dimethylamino)hexa-1,3,5-trien-3-yl]-9-hydroxy-7-methyl-6H-benzo[f][1,7]naphthyridin-5-one
CID 174315282
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
CID 171549742
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
ethane;8-hydroxy-6H-1,6-naphthyridin-5-one
CID 91248042
8-hydroxy-6H-1,6-naphthyridin-5-one
CID 57425179

Frequently Asked Questions

What is the IUPAC name of 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one (CID 171549631) is 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one is Cc1cc(O)c(-c2ccc(C(C)CN)cn2)c2c1[nH]c(=O)c1cccnc12.
What is the InChIKey of 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is AZQOKEYSDQOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-11-8-16(26)17(15-6-5-13(10-24-15)12(2)9-22)18-19(11)25-21(27)14-4-3-7-23-20(14)18/h3-8,10,12,26H,9,22H2,1-2H3,(H,25,27).
What are the key properties of 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one?
10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 360.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 171549631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).