1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride

C21H22Cl2N6O — CID 67107964

IUPAC1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
InChIKeyGKQYGRWQCWWSHN-UHFFFAOYSA-N
MW445.35 g/mol
LogP-1.56
Rot. Bonds2

About 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride

1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride (PubChem CID 67107964) has the molecular formula C21H22Cl2N6O and a molecular weight of 445.35 g/mol. Its IUPAC name is 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride.

Molecular Properties

Compound Name1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
PubChem CID67107964
Molecular FormulaC21H22Cl2N6O
Molecular Weight445.35 g/mol
Exact Mass444.12
IUPAC Name1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
SMILESCc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
InChIKeyGKQYGRWQCWWSHN-UHFFFAOYSA-N
XLogP-1.56
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
CID 73055604
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
N,4-bis(4-amino-2-methylquinolin-6-yl)-2,2-dimethyl-3-oxobutanamide
CID 59334180
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
N,N'-bis(4-amino-2-methylquinolin-6-yl)-2-prop-2-enyl-2-propylpropanediamide;dihydrochloride
CID 24839958
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
1,1-bis(4-amino-2-methylquinolin-6-yl)urea;dihydrochloride
CID 21115634
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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride?
The IUPAC name of 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride (CID 67107964) is 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride.
What is the SMILES notation for 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride?
The canonical SMILES for 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride is Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride?
The InChIKey is GKQYGRWQCWWSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H.
What are the key properties of 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride?
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride has a molecular weight of 445.35 g/mol, XLogP of -1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride is sourced from PubChem (CID 67107964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).