6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C15H21N3O2 — CID 102955536

IUPAC6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCN(c2cc3c(cc2N)CCC(=O)N3)CC1O
InChIInChI=1S/C15H21N3O2/c1-9-4-5-18(8-14(9)19)13-7-12-10(6-11(13)16)2-3-15(20)17-12/h6-7,9,14,19H,2-5,8,16H2,1H3,(H,17,20)
InChIKeyPMBCMFXKFBMGCW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds1

About 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 102955536) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID102955536
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CCN(c2cc3c(cc2N)CCC(=O)N3)CC1O
InChIInChI=1S/C15H21N3O2/c1-9-4-5-18(8-14(9)19)13-7-12-10(6-11(13)16)2-3-15(20)17-12/h6-7,9,14,19H,2-5,8,16H2,1H3,(H,17,20)
InChIKeyPMBCMFXKFBMGCW-UHFFFAOYSA-N
XLogP1.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853
6-amino-7-(azocan-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43455503
7-amino-6-(2-methylmorpholin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 43449729
7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 62936875
5-amino-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 114796921
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
5-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43383153
6-(3-hydroxy-4-methylpiperidin-1-yl)-7-nitro-4H-1,4-benzoxazin-3-one
CID 133446502
1-(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrrolidine-2-carboxamide
CID 43449758
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
6-amino-7-(1-methylpiperidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 61283217
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 102955536) is 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is CC1CCN(c2cc3c(cc2N)CCC(=O)N3)CC1O.
What is the InChIKey of 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PMBCMFXKFBMGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-4-5-18(8-14(9)19)13-7-12-10(6-11(13)16)2-3-15(20)17-12/h6-7,9,14,19H,2-5,8,16H2,1H3,(H,17,20).
What are the key properties of 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-hydroxy-4-methylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 102955536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).