1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine

C24H32N6O2 — CID 22243920

IUPAC1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine
SMILESCOc1cc2ncnc(N/C(=N\CCCN(C)C)Nc3c(C)cccc3C)c2cc1OC
InChIInChI=1S/C24H32N6O2/c1-16-9-7-10-17(2)22(16)28-24(25-11-8-12-30(3)4)29-23-18-13-20(31-5)21(32-6)14-19(18)26-15-27-23/h7,9-10,13-15H,8,11-12H2,1-6H3,(H2,25,26,27,28,29)
InChIKeyYXXCZTRLCUNJIY-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.10
Rot. Bonds8

About 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine

1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine (PubChem CID 22243920) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine
PubChem CID22243920
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine
SMILESCOc1cc2ncnc(N/C(=N\CCCN(C)C)Nc3c(C)cccc3C)c2cc1OC
InChIInChI=1S/C24H32N6O2/c1-16-9-7-10-17(2)22(16)28-24(25-11-8-12-30(3)4)29-23-18-13-20(31-5)21(32-6)14-19(18)26-15-27-23/h7,9-10,13-15H,8,11-12H2,1-6H3,(H2,25,26,27,28,29)
InChIKeyYXXCZTRLCUNJIY-UHFFFAOYSA-N
XLogP4.10
TPSA83.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-1-(2,6-dimethylphenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]guanidine
CID 22243855
1-(2-chloro-6-methylphenyl)-3-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-2-[3-(methylamino)propyl]guanidine
CID 22243905
3-[[(2,6-dimethylanilino)-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]methylidene]amino]propanimidamide
CID 154057718
tert-butyl 2-[[(2,6-dimethylanilino)-[[6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-yl]amino]methylidene]amino]acetate
CID 91465029
1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]thiourea
CID 22243890
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
tert-butyl 2-[[(2,6-dimethylanilino)-[[6-methoxy-7-(2-pyrrolidin-2-ylethoxy)quinazolin-4-yl]amino]methylidene]amino]propanoate
CID 90887963
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
CID 10204016
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine?
The IUPAC name of 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine (CID 22243920) is 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine.
What is the SMILES notation for 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine?
The canonical SMILES for 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine is COc1cc2ncnc(N/C(=N\CCCN(C)C)Nc3c(C)cccc3C)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine?
The InChIKey is YXXCZTRLCUNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-16-9-7-10-17(2)22(16)28-24(25-11-8-12-30(3)4)29-23-18-13-20(31-5)21(32-6)14-19(18)26-15-27-23/h7,9-10,13-15H,8,11-12H2,1-6H3,(H2,25,26,27,28,29).
What are the key properties of 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine?
1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine has a molecular weight of 436.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinazolin-4-yl)-2-[3-(dimethylamino)propyl]-3-(2,6-dimethylphenyl)guanidine is sourced from PubChem (CID 22243920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).