N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine

C20H23N3O2 — CID 23820170

IUPACN-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCCC(C)Nc1nc(-c2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-5-13(2)21-20-15-8-6-7-9-16(15)22-19(23-20)14-10-11-17(24-3)18(12-14)25-4/h6-13H,5H2,1-4H3,(H,21,22,23)
InChIKeyCKZFNCIHTKLRRB-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.52
Rot. Bonds6

About N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine

N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine (PubChem CID 23820170) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
PubChem CID23820170
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCCC(C)Nc1nc(-c2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-5-13(2)21-20-15-8-6-7-9-16(15)22-19(23-20)14-10-11-17(24-3)18(12-14)25-4/h6-13H,5H2,1-4H3,(H,21,22,23)
InChIKeyCKZFNCIHTKLRRB-UHFFFAOYSA-N
XLogP4.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine (CID 23820170) is N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine is CCC(C)Nc1nc(-c2ccc(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine?
The InChIKey is CKZFNCIHTKLRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-13(2)21-20-15-8-6-7-9-16(15)22-19(23-20)14-10-11-17(24-3)18(12-14)25-4/h6-13H,5H2,1-4H3,(H,21,22,23).
What are the key properties of N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine?
N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 23820170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).