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

C17H16ClN3O — CID 11278434

IUPAC2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-3-22-13-10-8-12(9-11-13)21(2)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyYMVUPHSSHKJBOE-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.45
Rot. Bonds4

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

2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11278434) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11278434
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-3-22-13-10-8-12(9-11-13)21(2)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyYMVUPHSSHKJBOE-UHFFFAOYSA-N
XLogP4.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine (CID 11278434) is 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine is CCOc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is YMVUPHSSHKJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-3-22-13-10-8-12(9-11-13)21(2)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine?
2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11278434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).