1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one

C17H19N3O3 — CID 170592737

IUPAC1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one
SMILESCC(O)CN.O=c1[nH]ccc2c(Oc3ccccc3)ccnc12
InChIInChI=1S/C14H10N2O2.C3H9NO/c17-14-13-11(6-8-16-14)12(7-9-15-13)18-10-4-2-1-3-5-10;1-3(5)2-4/h1-9H,(H,16,17);3,5H,2,4H2,1H3
InChIKeyMXBYQFLNMXYEFH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds3

About 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one

1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one (PubChem CID 170592737) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one
PubChem CID170592737
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one
SMILESCC(O)CN.O=c1[nH]ccc2c(Oc3ccccc3)ccnc12
InChIInChI=1S/C14H10N2O2.C3H9NO/c17-14-13-11(6-8-16-14)12(7-9-15-13)18-10-4-2-1-3-5-10;1-3(5)2-4/h1-9H,(H,16,17);3,5H,2,4H2,1H3
InChIKeyMXBYQFLNMXYEFH-UHFFFAOYSA-N
XLogP2.04
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 71016217
1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168379
1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
CID 170592785
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanoic acid
CID 135261196
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
ethyl 5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
CID 126517704
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
ethane;N-methylacetamide;8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one
CID 91379636
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168082
[3-(8-aminoquinolin-4-yl)oxyphenyl]methanol
CID 83060557
2-amino-N-(cyclohexylmethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260912

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one?
The IUPAC name of 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one (CID 170592737) is 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one is CC(O)CN.O=c1[nH]ccc2c(Oc3ccccc3)ccnc12.
What is the InChIKey of 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one?
The InChIKey is MXBYQFLNMXYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.C3H9NO/c17-14-13-11(6-8-16-14)12(7-9-15-13)18-10-4-2-1-3-5-10;1-3(5)2-4/h1-9H,(H,16,17);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one?
1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one has a molecular weight of 313.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;4-phenoxy-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 170592737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).