3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one

C24H23FN2O2 — CID 131949176

IUPAC3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCC(c3ccc(F)cc3)c3ccco3)c(=O)[nH]c2c1
InChIInChI=1S/C24H23FN2O2/c1-16-4-5-18-14-19(24(28)27-22(18)13-16)15-26-11-10-21(23-3-2-12-29-23)17-6-8-20(25)9-7-17/h2-9,12-14,21,26H,10-11,15H2,1H3,(H,27,28)
InChIKeyPPFAQTMQKINLNJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.88
Rot. Bonds7

About 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 131949176) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID131949176
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCC(c3ccc(F)cc3)c3ccco3)c(=O)[nH]c2c1
InChIInChI=1S/C24H23FN2O2/c1-16-4-5-18-14-19(24(28)27-22(18)13-16)15-26-11-10-21(23-3-2-12-29-23)17-6-8-20(25)9-7-17/h2-9,12-14,21,26H,10-11,15H2,1H3,(H,27,28)
InChIKeyPPFAQTMQKINLNJ-UHFFFAOYSA-N
XLogP4.88
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 131894709
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
1-[(4-fluorophenyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea
CID 3171320
3-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132764881
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132948104

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one (CID 131949176) is 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNCCC(c3ccc(F)cc3)c3ccco3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is PPFAQTMQKINLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16-4-5-18-14-19(24(28)27-22(18)13-16)15-26-11-10-21(23-3-2-12-29-23)17-6-8-20(25)9-7-17/h2-9,12-14,21,26H,10-11,15H2,1H3,(H,27,28).
What are the key properties of 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 131949176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).