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

C26H22ClN5O3 — CID 71496490

IUPACN-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cnc(-c3cc(Nc4ncnc5c(OC)cc(OC)cc45)ccc3Cl)[nH]2)cc1
InChIInChI=1S/C26H22ClN5O3/c1-33-17-7-4-15(5-8-17)22-13-28-25(32-22)19-10-16(6-9-21(19)27)31-26-20-11-18(34-2)12-23(35-3)24(20)29-14-30-26/h4-14H,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyWSVTZQKTRCZWJB-UHFFFAOYSA-N
MW487.95 g/mol
LogP6.11
Rot. Bonds7

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

N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine (PubChem CID 71496490) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
PubChem CID71496490
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC NameN-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cnc(-c3cc(Nc4ncnc5c(OC)cc(OC)cc45)ccc3Cl)[nH]2)cc1
InChIInChI=1S/C26H22ClN5O3/c1-33-17-7-4-15(5-8-17)22-13-28-25(32-22)19-10-16(6-9-21(19)27)31-26-20-11-18(34-2)12-23(35-3)24(20)29-14-30-26/h4-14H,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyWSVTZQKTRCZWJB-UHFFFAOYSA-N
XLogP6.11
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.95
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71496593
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-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
CID 131992559
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methoxyaniline
CID 143932131
2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
CID 175390232
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
5-[3-chloro-4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-2-(2,2-dimethylpropoxy)-4-methylpyridine
CID 118134558

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine (CID 71496490) is N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine is COc1ccc(-c2cnc(-c3cc(Nc4ncnc5c(OC)cc(OC)cc45)ccc3Cl)[nH]2)cc1.
What is the InChIKey of N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
The InChIKey is WSVTZQKTRCZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c1-33-17-7-4-15(5-8-17)22-13-28-25(32-22)19-10-16(6-9-21(19)27)31-26-20-11-18(34-2)12-23(35-3)24(20)29-14-30-26/h4-14H,1-3H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine?
N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine has a molecular weight of 487.95 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-6,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 71496490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).