2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine

C18H20N4O — CID 59242131

IUPAC2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(CN)nc3ccccc23)cc1
InChIInChI=1S/C18H20N4O/c1-3-23-14-10-8-13(9-11-14)22(2)18-15-6-4-5-7-16(15)20-17(12-19)21-18/h4-11H,3,12,19H2,1-2H3
InChIKeyJVHBGSLABZFLLO-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.26
Rot. Bonds5

About 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine

2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 59242131) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID59242131
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(CN)nc3ccccc23)cc1
InChIInChI=1S/C18H20N4O/c1-3-23-14-10-8-13(9-11-14)22(2)18-15-6-4-5-7-16(15)20-17(12-19)21-18/h4-11H,3,12,19H2,1-2H3
InChIKeyJVHBGSLABZFLLO-UHFFFAOYSA-N
XLogP3.26
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine (CID 59242131) is 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine is CCOc1ccc(N(C)c2nc(CN)nc3ccccc23)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is JVHBGSLABZFLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-23-14-10-8-13(9-11-14)22(2)18-15-6-4-5-7-16(15)20-17(12-19)21-18/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 59242131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).