3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one

C29H30N2O3 — CID 67616823

IUPAC3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3cccc(OCCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C29H30N2O3/c1-21-28(30-27-8-3-2-7-26(27)29(21)32)24-11-9-22(10-12-24)19-23-5-4-6-25(20-23)34-18-15-31-13-16-33-17-14-31/h2-12,20H,13-19H2,1H3,(H,30,32)
InChIKeyMVODGNFOXOIRPC-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.81
Rot. Bonds7

About 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one

3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one (PubChem CID 67616823) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
PubChem CID67616823
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3cccc(OCCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C29H30N2O3/c1-21-28(30-27-8-3-2-7-26(27)29(21)32)24-11-9-22(10-12-24)19-23-5-4-6-25(20-23)34-18-15-31-13-16-33-17-14-31/h2-12,20H,13-19H2,1H3,(H,30,32)
InChIKeyMVODGNFOXOIRPC-UHFFFAOYSA-N
XLogP4.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
4-Methoxyacridin-9(10H)-one
CID 51991
2,9-Dimethoxyquinacridone
CID 100426
N-(2-{4-[2-(dimethylamino)ethoxy]phenyl}propan-2-yl)-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748526
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 379514
3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinolin-4-one
CID 67609434
2-methyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 70696277
4-(2,5-Diphenyl-furan-3-yl)-morpholine
CID 10990391
N-cycloheptyl-10-oxo-2-phenyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 60195573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one (CID 67616823) is 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one is Cc1c(-c2ccc(Cc3cccc(OCCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The InChIKey is MVODGNFOXOIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-21-28(30-27-8-3-2-7-26(27)29(21)32)24-11-9-22(10-12-24)19-23-5-4-6-25(20-23)34-18-15-31-13-16-33-17-14-31/h2-12,20H,13-19H2,1H3,(H,30,32).
What are the key properties of 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one has a molecular weight of 454.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 67616823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).