N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine

C24H22ClN3O2 — CID 3712512

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2ccc(OC(C)C)cc2)nc2ccccc12
InChIInChI=1S/C24H22ClN3O2/c1-15(2)30-18-11-8-16(9-12-18)23-26-20-7-5-4-6-19(20)24(28-23)27-21-14-17(25)10-13-22(21)29-3/h4-15H,1-3H3,(H,26,27,28)
InChIKeyYQMXXOYGRKIISL-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.49
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine

N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine (PubChem CID 3712512) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
PubChem CID3712512
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2ccc(OC(C)C)cc2)nc2ccccc12
InChIInChI=1S/C24H22ClN3O2/c1-15(2)30-18-11-8-16(9-12-18)23-26-20-7-5-4-6-19(20)24(28-23)27-21-14-17(25)10-13-22(21)29-3/h4-15H,1-3H3,(H,26,27,28)
InChIKeyYQMXXOYGRKIISL-UHFFFAOYSA-N
XLogP6.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
CID 134817436
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
CID 91964516
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine (CID 3712512) is N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine is COc1ccc(Cl)cc1Nc1nc(-c2ccc(OC(C)C)cc2)nc2ccccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
The InChIKey is YQMXXOYGRKIISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-15(2)30-18-11-8-16(9-12-18)23-26-20-7-5-4-6-19(20)24(28-23)27-21-14-17(25)10-13-22(21)29-3/h4-15H,1-3H3,(H,26,27,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine?
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine has a molecular weight of 419.91 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3712512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).