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

C15H13N3O — CID 712193

IUPACN-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyLCYPRFCDTJTQPG-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.38
Rot. Bonds3

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

N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 712193) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID712193
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyLCYPRFCDTJTQPG-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)quinazolin-4-amine (CID 712193) is N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is LCYPRFCDTJTQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methoxyphenyl)quinazolin-4-amine?
N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 712193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).