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

C21H24N2O3 — CID 132764881

IUPAC3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCC(O)COCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-17-10-18(21(25)23-20(17)9-15)11-22-12-19(24)14-26-13-16-5-3-2-4-6-16/h2-10,19,22,24H,11-14H2,1H3,(H,23,25)
InChIKeyCANAKIXXKYBBDI-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.50
Rot. Bonds8

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

3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 132764881) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID132764881
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCC(O)COCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N2O3/c1-15-7-8-17-10-18(21(25)23-20(17)9-15)11-22-12-19(24)14-26-13-16-5-3-2-4-6-16/h2-10,19,22,24H,11-14H2,1H3,(H,23,25)
InChIKeyCANAKIXXKYBBDI-UHFFFAOYSA-N
XLogP2.50
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132948104
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
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-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one (CID 132764881) is 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNCC(O)COCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is CANAKIXXKYBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-8-17-10-18(21(25)23-20(17)9-15)11-22-12-19(24)14-26-13-16-5-3-2-4-6-16/h2-10,19,22,24H,11-14H2,1H3,(H,23,25).
What are the key properties of 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 132764881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).