7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine

C21H25N3O — CID 67061469

IUPAC7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine
SMILESCOc1cc2nc(NCCC(C)C)ncc2cc1-c1ccccc1C
InChIInChI=1S/C21H25N3O/c1-14(2)9-10-22-21-23-13-16-11-18(17-8-6-5-7-15(17)3)20(25-4)12-19(16)24-21/h5-8,11-14H,9-10H2,1-4H3,(H,22,23,24)
InChIKeyFQBZVUWGIBOFDS-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.07
Rot. Bonds6

About 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine

7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine (PubChem CID 67061469) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine
PubChem CID67061469
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine
SMILESCOc1cc2nc(NCCC(C)C)ncc2cc1-c1ccccc1C
InChIInChI=1S/C21H25N3O/c1-14(2)9-10-22-21-23-13-16-11-18(17-8-6-5-7-15(17)3)20(25-4)12-19(16)24-21/h5-8,11-14H,9-10H2,1-4H3,(H,22,23,24)
InChIKeyFQBZVUWGIBOFDS-UHFFFAOYSA-N
XLogP5.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine?
The IUPAC name of 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine (CID 67061469) is 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine is COc1cc2nc(NCCC(C)C)ncc2cc1-c1ccccc1C.
What is the InChIKey of 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine?
The InChIKey is FQBZVUWGIBOFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14(2)9-10-22-21-23-13-16-11-18(17-8-6-5-7-15(17)3)20(25-4)12-19(16)24-21/h5-8,11-14H,9-10H2,1-4H3,(H,22,23,24).
What are the key properties of 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine?
7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine has a molecular weight of 335.45 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine is sourced from PubChem (CID 67061469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).