N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C22H25ClN4O3 — CID 10113430

IUPACN-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4)c23)c1
InChIInChI=1S/C22H25ClN4O3/c1-27-8-6-14(7-9-27)30-20-12-16(29-3)11-19-21(20)22(25-13-24-19)26-18-10-15(28-2)4-5-17(18)23/h4-5,10-14H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyUDMCXVWGJLMNDD-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.52
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 10113430) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID10113430
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4)c23)c1
InChIInChI=1S/C22H25ClN4O3/c1-27-8-6-14(7-9-27)30-20-12-16(29-3)11-19-21(20)22(25-13-24-19)26-18-10-15(28-2)4-5-17(18)23/h4-5,10-14H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyUDMCXVWGJLMNDD-UHFFFAOYSA-N
XLogP4.52
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 10113430) is N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4)c23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is UDMCXVWGJLMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-27-8-6-14(7-9-27)30-20-12-16(29-3)11-19-21(20)22(25-13-24-19)26-18-10-15(28-2)4-5-17(18)23/h4-5,10-14H,6-9H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 428.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 10113430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).