7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one

C23H26N2O3 — CID 164617831

IUPAC7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C23H26N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-10,14,17,20,24H,4,11-13,15H2,1H3,(H,25,26)
InChIKeyKUSJEHNHUDFZIE-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.70
Rot. Bonds9

About 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one

7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one (PubChem CID 164617831) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one
PubChem CID164617831
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one
SMILESCOc1ccccc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C23H26N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-10,14,17,20,24H,4,11-13,15H2,1H3,(H,25,26)
InChIKeyKUSJEHNHUDFZIE-UHFFFAOYSA-N
XLogP3.70
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
5-methoxy-3-phenyl-1H-quinolin-2-one
CID 1485674
7-Methoxy-4-methylquinolin-2-ol
CID 761548
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
CID 3086031
1-{2-methyl-3-[(1S)-1-phenylethoxy]phenyl}piperazine
CID 25263311
1-{2-methyl-3-[(1R)-1-phenylethoxy]phenyl}piperazine
CID 25263312
Opc 4392
CID 163839
N-{4-[(2,3-Dihydro-benzofuran-4-yl)-methyl-amino]-phenyl}-butyramide
CID 44264861
4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol
CID 395574
N1-{3-[3-(acetylamino)phenoxy]propyl}-4-(tert-butyl)benzamide
CID 2802629

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one (CID 164617831) is 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one is COc1ccccc1C1CC1CNCCCOc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one?
The InChIKey is KUSJEHNHUDFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-22-6-3-2-5-19(22)20-13-17(20)15-24-11-4-12-28-18-9-7-16-8-10-23(26)25-21(16)14-18/h2-3,5-10,14,17,20,24H,4,11-13,15H2,1H3,(H,25,26).
What are the key properties of 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one?
7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 164617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).