1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one

C16H22N2O2 — CID 107506251

IUPAC1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one
SMILESCCCNC(COC)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-10-17-14(12-20-2)11-18-15-7-5-4-6-13(15)8-9-16(18)19/h4-9,14,17H,3,10-12H2,1-2H3
InChIKeyBNHYKEKTNSAOTK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.02
Rot. Bonds7

About 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one

1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one (PubChem CID 107506251) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one
PubChem CID107506251
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one
SMILESCCCNC(COC)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-10-17-14(12-20-2)11-18-15-7-5-4-6-13(15)8-9-16(18)19/h4-9,14,17H,3,10-12H2,1-2H3
InChIKeyBNHYKEKTNSAOTK-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylquinolin-2-one;hydrochloride
CID 141095108
3-[3-methoxy-2-(propylamino)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 107506306
1-[(2S)-3-iodo-2-methylpropyl]quinolin-2-one
CID 68910508
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
CID 107506387
1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-[3-methoxy-2-(methylamino)propyl]-6-methylpyridin-2-one
CID 107506125
1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione
CID 107506331
1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
CID 81334295
1-(ethylamino)quinolin-2-one
CID 68767328
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one (CID 107506251) is 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one is CCCNC(COC)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one?
The InChIKey is BNHYKEKTNSAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-10-17-14(12-20-2)11-18-15-7-5-4-6-13(15)8-9-16(18)19/h4-9,14,17H,3,10-12H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one?
1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]quinolin-2-one is sourced from PubChem (CID 107506251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).