4-(3-methoxyphenyl)quinazolin-2-amine

C15H13N3O — CID 66520579

IUPAC4-(3-methoxyphenyl)quinazolin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-19-11-6-4-5-10(9-11)14-12-7-2-3-8-13(12)17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyKOERVEQMLLHMCN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.89
Rot. Bonds2

About 4-(3-methoxyphenyl)quinazolin-2-amine

4-(3-methoxyphenyl)quinazolin-2-amine (PubChem CID 66520579) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)quinazolin-2-amine
PubChem CID66520579
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(3-methoxyphenyl)quinazolin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-19-11-6-4-5-10(9-11)14-12-7-2-3-8-13(12)17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyKOERVEQMLLHMCN-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)quinazolin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)quinazolin-2-amine (CID 66520579) is 4-(3-methoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)quinazolin-2-amine is COc1cccc(-c2nc(N)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)quinazolin-2-amine?
The InChIKey is KOERVEQMLLHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-11-6-4-5-10(9-11)14-12-7-2-3-8-13(12)17-15(16)18-14/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 4-(3-methoxyphenyl)quinazolin-2-amine?
4-(3-methoxyphenyl)quinazolin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 66520579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).