3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one

C18H27N3O — CID 73448527

IUPAC3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one
SMILESCCN(CC)CCCNCC1C=c2cc(C)ccc2=NC1=O
InChIInChI=1S/C18H27N3O/c1-4-21(5-2)10-6-9-19-13-16-12-15-11-14(3)7-8-17(15)20-18(16)22/h7-8,11-12,16,19H,4-6,9-10,13H2,1-3H3
InChIKeyLMRFBPIBCBJANR-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.87
Rot. Bonds8

About 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one

3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one (PubChem CID 73448527) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one
PubChem CID73448527
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one
SMILESCCN(CC)CCCNCC1C=c2cc(C)ccc2=NC1=O
InChIInChI=1S/C18H27N3O/c1-4-21(5-2)10-6-9-19-13-16-12-15-11-14(3)7-8-17(15)20-18(16)22/h7-8,11-12,16,19H,4-6,9-10,13H2,1-3H3
InChIKeyLMRFBPIBCBJANR-UHFFFAOYSA-N
XLogP0.87
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-7-fluoro-3H-quinolin-2-one
CID 74251623
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide;ethane
CID 143994163
3-[[3-(diethylamino)propylamino]methyl]-7-methyl-3H-quinolin-2-one
CID 74686682
3-[(2-hydroxyethylamino)methyl]-6-methyl-3H-quinolin-2-one
CID 77620943
3-[(3-hydroxypropylamino)methyl]-6-methyl-3H-quinolin-2-one
CID 77620953
N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
CID 78340951
2-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]propanamide
CID 78351093
3-methyl-N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
CID 78352441
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-3H-quinoline-3-carboxamide
CID 133590923
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-oxo-3H-quinoline-3-carboxamide
CID 133605427
N,4-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]pent-3-enamide
CID 143994164

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one?
The IUPAC name of 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one (CID 73448527) is 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one?
The canonical SMILES for 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one is CCN(CC)CCCNCC1C=c2cc(C)ccc2=NC1=O.
What is the InChIKey of 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one?
The InChIKey is LMRFBPIBCBJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-21(5-2)10-6-9-19-13-16-12-15-11-14(3)7-8-17(15)20-18(16)22/h7-8,11-12,16,19H,4-6,9-10,13H2,1-3H3.
What are the key properties of 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one?
3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one has a molecular weight of 301.43 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)propylamino]methyl]-6-methyl-3H-quinolin-2-one is sourced from PubChem (CID 73448527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).