2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine

C27H30N4O — CID 142126017

IUPAC2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(c2ccccc2COC)Nc2ccccc21)c1ccccc1NCCC
InChIInChI=1S/C27H30N4O/c1-4-17-28-24-15-9-7-12-21(24)19(2)29-27-23-14-8-10-16-25(23)30-26(31-27)22-13-6-5-11-20(22)18-32-3/h5-16,26,28,30H,2,4,17-18H2,1,3H3,(H,29,31)
InChIKeyMTOQIDSIIHYJAT-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.79
Rot. Bonds8

About 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine

2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine (PubChem CID 142126017) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
PubChem CID142126017
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(c2ccccc2COC)Nc2ccccc21)c1ccccc1NCCC
InChIInChI=1S/C27H30N4O/c1-4-17-28-24-15-9-7-12-21(24)19(2)29-27-23-14-8-10-16-25(23)30-26(31-27)22-13-6-5-11-20(22)18-32-3/h5-16,26,28,30H,2,4,17-18H2,1,3H3,(H,29,31)
InChIKeyMTOQIDSIIHYJAT-UHFFFAOYSA-N
XLogP5.79
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine (CID 142126017) is 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine is C=C(NC1=NC(c2ccccc2COC)Nc2ccccc21)c1ccccc1NCCC.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine?
The InChIKey is MTOQIDSIIHYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-4-17-28-24-15-9-7-12-21(24)19(2)29-27-23-14-8-10-16-25(23)30-26(31-27)22-13-6-5-11-20(22)18-32-3/h5-16,26,28,30H,2,4,17-18H2,1,3H3,(H,29,31).
What are the key properties of 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine?
2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine has a molecular weight of 426.56 g/mol, XLogP of 5.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 142126017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).