2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine

C19H20ClN3O — CID 12929075

IUPAC2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine
SMILESCc1ccc(OC(C)(C)CNc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C19H20ClN3O/c1-13-8-10-14(11-9-13)24-19(2,3)12-21-17-15-6-4-5-7-16(15)22-18(20)23-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeySEIOBAKVPFYBTN-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.86
Rot. Bonds5

About 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine

2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine (PubChem CID 12929075) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine
PubChem CID12929075
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine
SMILESCc1ccc(OC(C)(C)CNc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C19H20ClN3O/c1-13-8-10-14(11-9-13)24-19(2,3)12-21-17-15-6-4-5-7-16(15)22-18(20)23-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeySEIOBAKVPFYBTN-UHFFFAOYSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine (CID 12929075) is 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine is Cc1ccc(OC(C)(C)CNc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine?
The InChIKey is SEIOBAKVPFYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-8-10-14(11-9-13)24-19(2,3)12-21-17-15-6-4-5-7-16(15)22-18(20)23-17/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine?
2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine has a molecular weight of 341.84 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine is sourced from PubChem (CID 12929075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).