1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one

C23H23N3O2 — CID 171549666

IUPAC1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
SMILESCc1nc(C)c2[nH]c(=O)c3c(O)cccc3c2c1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C23H23N3O2/c1-12(11-24)15-7-9-16(10-8-15)19-13(2)25-14(3)22-21(19)17-5-4-6-18(27)20(17)23(28)26-22/h4-10,12,27H,11,24H2,1-3H3,(H,26,28)
InChIKeyWGNWEWXVAGIRBO-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one

1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one (PubChem CID 171549666) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
PubChem CID171549666
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
SMILESCc1nc(C)c2[nH]c(=O)c3c(O)cccc3c2c1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C23H23N3O2/c1-12(11-24)15-7-9-16(10-8-15)19-13(2)25-14(3)22-21(19)17-5-4-6-18(27)20(17)23(28)26-22/h4-10,12,27H,11,24H2,1-3H3,(H,26,28)
InChIKeyWGNWEWXVAGIRBO-UHFFFAOYSA-N
XLogP4.13
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(2R)-1-amino-3-fluoropropan-2-yl]phenyl]-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549904
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-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
CID 171549742
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
9-[4-(1-aminopropan-2-yl)phenyl]-6-chloro-8-methoxy-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549969
10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
CID 171549631
6-(hydroxymethyl)-8-methyl-9-[4-[1-(methylamino)propan-2-yl]phenyl]-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549580
1-[4-[(1R)-1-aminoethyl]phenyl]-7-fluoro-2-methoxy-4-methyl-5H-phenanthridin-6-one;hydrochloride
CID 175751761
10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
CID 174315658
1-[4-[(1R)-1-aminoethyl]phenyl]-4-chloro-2-hydroxy-5H-phenanthridin-6-one;hydrochloride
CID 175751730
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 67448029
9-[4-[1-[[9-[4-(1-aminopropan-2-yl)phenyl]-2-(difluoromethyl)-8-methoxy-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-6-yl]methylamino]propan-2-yl]phenyl]-8-methoxy-6-methyl-5H-[1,2]oxazolo[5,4-c][1,7]naphthyridin-4-one
CID 171549953

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one (CID 171549666) is 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one is Cc1nc(C)c2[nH]c(=O)c3c(O)cccc3c2c1-c1ccc(C(C)CN)cc1.
What is the InChIKey of 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one?
The InChIKey is WGNWEWXVAGIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-12(11-24)15-7-9-16(10-8-15)19-13(2)25-14(3)22-21(19)17-5-4-6-18(27)20(17)23(28)26-22/h4-10,12,27H,11,24H2,1-3H3,(H,26,28).
What are the key properties of 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one?
1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one has a molecular weight of 373.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 171549666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).