3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one

C22H27N3O — CID 119136099

IUPAC3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
SMILESCCN(CC)Cc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H27N3O/c1-3-25(4-2)16-18-11-9-17(10-12-18)14-23-15-20-13-19-7-5-6-8-21(19)24-22(20)26/h5-13,23H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyVBGKVACEPBKVBU-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.66
Rot. Bonds8

About 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one

3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one (PubChem CID 119136099) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
PubChem CID119136099
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
SMILESCCN(CC)Cc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H27N3O/c1-3-25(4-2)16-18-11-9-17(10-12-18)14-23-15-20-13-19-7-5-6-8-21(19)24-22(20)26/h5-13,23H,3-4,14-16H2,1-2H3,(H,24,26)
InChIKeyVBGKVACEPBKVBU-UHFFFAOYSA-N
XLogP3.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Isonixin
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CID 83636605
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CID 375912
3-methylquinolin-2(1H)-one
CID 440987
Iferanserin
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CID 22279210
N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 137637884
N-[(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137641357
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinolin-2-one
CID 168285892

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one (CID 119136099) is 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one is CCN(CC)Cc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is VBGKVACEPBKVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-25(4-2)16-18-11-9-17(10-12-18)14-23-15-20-13-19-7-5-6-8-21(19)24-22(20)26/h5-13,23H,3-4,14-16H2,1-2H3,(H,24,26).
What are the key properties of 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one?
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 349.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 119136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).