N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride

C18H26ClN3O3 — CID 119615003

IUPACN-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C18H25N3O3.ClH/c19-11-16(12-3-4-12)21-17(22)2-1-9-24-14-6-7-15-13(10-14)5-8-18(23)20-15;/h6-7,10,12,16H,1-5,8-9,11,19H2,(H,20,23)(H,21,22);1H
InChIKeyRLKDUKHUVMZYTQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.01
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride (PubChem CID 119615003) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
PubChem CID119615003
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C18H25N3O3.ClH/c19-11-16(12-3-4-12)21-17(22)2-1-9-24-14-6-7-15-13(10-14)5-8-18(23)20-15;/h6-7,10,12,16H,1-5,8-9,11,19H2,(H,20,23)(H,21,22);1H
InChIKeyRLKDUKHUVMZYTQ-UHFFFAOYSA-N
XLogP2.01
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride with MolForge

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
CID 119617914
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119632573
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119632574
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
6-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119485054

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride (CID 119615003) is N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride is Cl.NCC(NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
The InChIKey is RLKDUKHUVMZYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-11-16(12-3-4-12)21-17(22)2-1-9-24-14-6-7-15-13(10-14)5-8-18(23)20-15;/h6-7,10,12,16H,1-5,8-9,11,19H2,(H,20,23)(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride is sourced from PubChem (CID 119615003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).