N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride

C29H34Cl2N6O2 — CID 24839958

IUPACN,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride
SMILESC=CCC(CCC)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1.Cl.Cl
InChIInChI=1S/C29H32N6O2.2ClH/c1-5-11-29(12-6-2,27(36)34-19-7-9-25-21(15-19)23(30)13-17(3)32-25)28(37)35-20-8-10-26-22(16-20)24(31)14-18(4)33-26;;/h5,7-10,13-16H,1,6,11-12H2,2-4H3,(H2,30,32)(H2,31,33)(H,34,36)(H,35,37);2*1H
InChIKeyUMADUMFCGUUHII-UHFFFAOYSA-N
MW569.54 g/mol
LogP6.35
Rot. Bonds8

About N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride

N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride (PubChem CID 24839958) has the molecular formula C29H34Cl2N6O2 and a molecular weight of 569.54 g/mol. Its IUPAC name is N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride
PubChem CID24839958
Molecular FormulaC29H34Cl2N6O2
Molecular Weight569.54 g/mol
Exact Mass568.21
IUPAC NameN,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride
SMILESC=CCC(CCC)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1.Cl.Cl
InChIInChI=1S/C29H32N6O2.2ClH/c1-5-11-29(12-6-2,27(36)34-19-7-9-25-21(15-19)23(30)13-17(3)32-25)28(37)35-20-8-10-26-22(16-20)24(31)14-18(4)33-26;;/h5,7-10,13-16H,1,6,11-12H2,2-4H3,(H2,30,32)(H2,31,33)(H,34,36)(H,35,37);2*1H
InChIKeyUMADUMFCGUUHII-UHFFFAOYSA-N
XLogP6.35
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 56.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
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1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 15133402
1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
CID 73055604
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
CID 162308221
N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 73056183
N-(4-amino-2-methylquinolin-6-yl)-3-(2-ethoxyphenyl)propanamide
CID 73056477

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride?
The IUPAC name of N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride (CID 24839958) is N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride.
What is the SMILES notation for N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride?
The canonical SMILES for N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride is C=CCC(CCC)(C(=O)Nc1ccc2nc(C)cc(N)c2c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1.Cl.Cl.
What is the InChIKey of N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride?
The InChIKey is UMADUMFCGUUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.2ClH/c1-5-11-29(12-6-2,27(36)34-19-7-9-25-21(15-19)23(30)13-17(3)32-25)28(37)35-20-8-10-26-22(16-20)24(31)14-18(4)33-26;;/h5,7-10,13-16H,1,6,11-12H2,2-4H3,(H2,30,32)(H2,31,33)(H,34,36)(H,35,37);2*1H.
What are the key properties of N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride?
N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride has a molecular weight of 569.54 g/mol, XLogP of 6.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride is sourced from PubChem (CID 24839958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).