N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride

C19H25Cl2N3O — CID 119422356

IUPACN-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
SMILESCC1CCc2ccccc2N1CCC(=O)Nc1ccccc1N.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14-10-11-15-6-2-5-9-18(15)22(14)13-12-19(23)21-17-8-4-3-7-16(17)20;;/h2-9,14H,10-13,20H2,1H3,(H,21,23);2*1H
InChIKeyWKXHADNVZHGQAV-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.28
Rot. Bonds4

About N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride

N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride (PubChem CID 119422356) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
PubChem CID119422356
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
SMILESCC1CCc2ccccc2N1CCC(=O)Nc1ccccc1N.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14-10-11-15-6-2-5-9-18(15)22(14)13-12-19(23)21-17-8-4-3-7-16(17)20;;/h2-9,14H,10-13,20H2,1H3,(H,21,23);2*1H
InChIKeyWKXHADNVZHGQAV-UHFFFAOYSA-N
XLogP4.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
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N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
CID 95781097
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
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CID 16779613
N-(2-aminophenyl)-3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanamide
CID 80579397
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752
N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 95928324
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride (CID 119422356) is N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride is CC1CCc2ccccc2N1CCC(=O)Nc1ccccc1N.Cl.Cl.
What is the InChIKey of N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride?
The InChIKey is WKXHADNVZHGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-14-10-11-15-6-2-5-9-18(15)22(14)13-12-19(23)21-17-8-4-3-7-16(17)20;;/h2-9,14H,10-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride?
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119422356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).