N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine

C22H20N4O2 — CID 3232747

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-18-7-5-17(21(11-18)28-2)13-24-22-19-10-15(16-4-3-9-23-12-16)6-8-20(19)25-14-26-22/h3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeyLNAWZQPISHMMII-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.32
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine (PubChem CID 3232747) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
PubChem CID3232747
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-18-7-5-17(21(11-18)28-2)13-24-22-19-10-15(16-4-3-9-23-12-16)6-8-20(19)25-14-26-22/h3-12,14H,13H2,1-2H3,(H,24,25,26)
InChIKeyLNAWZQPISHMMII-UHFFFAOYSA-N
XLogP4.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.32
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)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine (CID 3232747) is N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LNAWZQPISHMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-18-7-5-17(21(11-18)28-2)13-24-22-19-10-15(16-4-3-9-23-12-16)6-8-20(19)25-14-26-22/h3-12,14H,13H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3232747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).