N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

C21H18N4O2 — CID 1126120

IUPACN-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H18N4O2/c1-26-15-7-8-18(19(13-15)27-2)24-21-16-5-3-4-6-17(16)23-20(25-21)14-9-11-22-12-10-14/h3-13H,1-2H3,(H,23,24,25)
InChIKeyLCWSMEKAIGQLMK-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.45
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 1126120) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID1126120
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H18N4O2/c1-26-15-7-8-18(19(13-15)27-2)24-21-16-5-3-4-6-17(16)23-20(25-21)14-9-11-22-12-10-14/h3-13H,1-2H3,(H,23,24,25)
InChIKeyLCWSMEKAIGQLMK-UHFFFAOYSA-N
XLogP4.45
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 1126120) is N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is COc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is LCWSMEKAIGQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-26-15-7-8-18(19(13-15)27-2)24-21-16-5-3-4-6-17(16)23-20(25-21)14-9-11-22-12-10-14/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 358.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 1126120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).