N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C21H23ClN4O2 — CID 11973903

IUPACN-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)c1
InChIInChI=1S/C21H23ClN4O2/c1-26-10-8-14(9-11-26)28-19-5-3-4-17-20(19)21(24-13-23-17)25-18-12-15(27-2)6-7-16(18)22/h3-7,12-14H,8-11H2,1-2H3,(H,23,24,25)
InChIKeyUNJMEZAIQIBRQJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.51
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 11973903) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID11973903
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)c1
InChIInChI=1S/C21H23ClN4O2/c1-26-10-8-14(9-11-26)28-19-5-3-4-17-20(19)21(24-13-23-17)25-18-12-15(27-2)6-7-16(18)22/h3-7,12-14H,8-11H2,1-2H3,(H,23,24,25)
InChIKeyUNJMEZAIQIBRQJ-UHFFFAOYSA-N
XLogP4.51
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 11973903) is N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is UNJMEZAIQIBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-26-10-8-14(9-11-26)28-19-5-3-4-17-20(19)21(24-13-23-17)25-18-12-15(27-2)6-7-16(18)22/h3-7,12-14H,8-11H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 398.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 11973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).