N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine

C25H19Cl2N5O2 — CID 71496593

IUPACN-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(Nc3ccc(Cl)c(-c4ncc(-c5ccc(Cl)cc5)[nH]4)c3)c2c1
InChIInChI=1S/C25H19Cl2N5O2/c1-33-17-10-19-23(22(11-17)34-2)29-13-30-25(19)31-16-7-8-20(27)18(9-16)24-28-12-21(32-24)14-3-5-15(26)6-4-14/h3-13H,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyICULCMVKFHPXOH-UHFFFAOYSA-N
MW492.37 g/mol
LogP6.75
Rot. Bonds6

About N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine

N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine (PubChem CID 71496593) has the molecular formula C25H19Cl2N5O2 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
PubChem CID71496593
Molecular FormulaC25H19Cl2N5O2
Molecular Weight492.37 g/mol
Exact Mass491.09
IUPAC NameN-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1cc(OC)c2ncnc(Nc3ccc(Cl)c(-c4ncc(-c5ccc(Cl)cc5)[nH]4)c3)c2c1
InChIInChI=1S/C25H19Cl2N5O2/c1-33-17-10-19-23(22(11-17)34-2)29-13-30-25(19)31-16-7-8-20(27)18(9-16)24-28-12-21(32-24)14-3-5-15(26)6-4-14/h3-13H,1-2H3,(H,28,32)(H,29,30,31)
InChIKeyICULCMVKFHPXOH-UHFFFAOYSA-N
XLogP6.75
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496490
N-[4-chloro-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496489
N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71495622
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5,7-dimethoxyisoquinolin-1-amine
CID 71244547
2-[4-[(6,8-dimethoxyquinazolin-4-yl)amino]phenyl]ethylphosphonous acid
CID 154673036
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
CID 131992559
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-morpholin-4-ylisoquinolin-1-amine
CID 24788599
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-(2-methylmorpholin-4-yl)isoquinolin-1-amine
CID 67098957
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine (CID 71496593) is N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine is COc1cc(OC)c2ncnc(Nc3ccc(Cl)c(-c4ncc(-c5ccc(Cl)cc5)[nH]4)c3)c2c1.
What is the InChIKey of N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The InChIKey is ICULCMVKFHPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O2/c1-33-17-10-19-23(22(11-17)34-2)29-13-30-25(19)31-16-7-8-20(27)18(9-16)24-28-12-21(32-24)14-3-5-15(26)6-4-14/h3-13H,1-2H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine has a molecular weight of 492.37 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 71496593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).