3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one

C17H24N2O3 — CID 132948104

IUPAC3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCC(O)COC(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C17H24N2O3/c1-11(2)22-10-15(20)9-18-8-14-7-13-5-4-12(3)6-16(13)19-17(14)21/h4-7,11,15,18,20H,8-10H2,1-3H3,(H,19,21)
InChIKeyBAGSFKYBVPPWQC-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds7

About 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 132948104) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID132948104
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCC(O)COC(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C17H24N2O3/c1-11(2)22-10-15(20)9-18-8-14-7-13-5-4-12(3)6-16(13)19-17(14)21/h4-7,11,15,18,20H,8-10H2,1-3H3,(H,19,21)
InChIKeyBAGSFKYBVPPWQC-UHFFFAOYSA-N
XLogP1.71
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132764881
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 132948422
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 111434672
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one (CID 132948104) is 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNCC(O)COC(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is BAGSFKYBVPPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)22-10-15(20)9-18-8-14-7-13-5-4-12(3)6-16(13)19-17(14)21/h4-7,11,15,18,20H,8-10H2,1-3H3,(H,19,21).
What are the key properties of 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 132948104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).