N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

C24H23N3O3 — CID 6615394

IUPACN-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O3/c1-28-20-13-17(14-21(29-2)22(20)30-3)23-26-19-12-8-7-11-18(19)24(27-23)25-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26,27)
InChIKeyFPHFBOMKEYMBGW-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.93
Rot. Bonds7

About N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 6615394) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID6615394
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O3/c1-28-20-13-17(14-21(29-2)22(20)30-3)23-26-19-12-8-7-11-18(19)24(27-23)25-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26,27)
InChIKeyFPHFBOMKEYMBGW-UHFFFAOYSA-N
XLogP4.93
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 6615394) is N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is FPHFBOMKEYMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-20-13-17(14-21(29-2)22(20)30-3)23-26-19-12-8-7-11-18(19)24(27-23)25-15-16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 6615394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).