7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C21H29N3O3 — CID 95210664

IUPAC7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C21H29N3O3/c1-26-19-5-4-17-11-18(21(25)22-20(17)12-19)15-24-6-2-3-16(14-24)13-23-7-9-27-10-8-23/h4-5,11-12,16H,2-3,6-10,13-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyUZSULCKVEGBXPP-MRXNPFEDSA-N
MW371.48 g/mol
LogP2.08
Rot. Bonds5

About 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95210664) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95210664
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C21H29N3O3/c1-26-19-5-4-17-11-18(21(25)22-20(17)12-19)15-24-6-2-3-16(14-24)13-23-7-9-27-10-8-23/h4-5,11-12,16H,2-3,6-10,13-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyUZSULCKVEGBXPP-MRXNPFEDSA-N
XLogP2.08
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
3-[[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95221791
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806
7-methoxy-3-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 56716187
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
7-methoxy-3-[[methyl-[(2R)-2-morpholin-4-ylpropyl]amino]methyl]-1H-quinolin-2-one
CID 95213505

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 95210664) is 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is COc1ccc2cc(CN3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is UZSULCKVEGBXPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-26-19-5-4-17-11-18(21(25)22-20(17)12-19)15-24-6-2-3-16(14-24)13-23-7-9-27-10-8-23/h4-5,11-12,16H,2-3,6-10,13-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95210664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).