1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride

C19H26ClN3O3 — CID 51120135

IUPAC1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)c2cc(CNCCCN3CCCC3=O)cnc2c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-24-15-10-17-16(18(11-15)25-2)9-14(13-21-17)12-20-6-4-8-22-7-3-5-19(22)23;/h9-11,13,20H,3-8,12H2,1-2H3;1H
InChIKeyUMDPVKPQTCCTDG-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.78
Rot. Bonds8

About 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride

1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride (PubChem CID 51120135) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
PubChem CID51120135
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)c2cc(CNCCCN3CCCC3=O)cnc2c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-24-15-10-17-16(18(11-15)25-2)9-14(13-21-17)12-20-6-4-8-22-7-3-5-19(22)23;/h9-11,13,20H,3-8,12H2,1-2H3;1H
InChIKeyUMDPVKPQTCCTDG-UHFFFAOYSA-N
XLogP2.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 66535670
1-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212137
1-[3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212147
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
1-[3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 66533982
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[(3,5-dichloro-2-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 17212153
1-[3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211926
1-[3-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212068
1-[3-[(2-chloro-5-methoxy-4-propoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 66530925
1-[3-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211958
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride (CID 51120135) is 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride is COc1cc(OC)c2cc(CNCCCN3CCCC3=O)cnc2c1.Cl.
What is the InChIKey of 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is UMDPVKPQTCCTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-24-15-10-17-16(18(11-15)25-2)9-14(13-21-17)12-20-6-4-8-22-7-3-5-19(22)23;/h9-11,13,20H,3-8,12H2,1-2H3;1H.
What are the key properties of 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride?
1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,7-dimethoxyquinolin-3-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 51120135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).