N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

C27H22N4O2 — CID 71181186

IUPACN-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccccc4OC)c3c2)c1
InChIInChI=1S/C27H22N4O2/c1-32-21-9-5-7-18(15-21)19-12-13-23-22(16-19)27(30-24-10-3-4-11-25(24)33-2)31-26(29-23)20-8-6-14-28-17-20/h3-17H,1-2H3,(H,29,30,31)
InChIKeyHTUZJTATNCPMKR-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.12
Rot. Bonds6

About N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71181186) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71181186
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccccc4OC)c3c2)c1
InChIInChI=1S/C27H22N4O2/c1-32-21-9-5-7-18(15-21)19-12-13-23-22(16-19)27(30-24-10-3-4-11-25(24)33-2)31-26(29-23)20-8-6-14-28-17-20/h3-17H,1-2H3,(H,29,30,31)
InChIKeyHTUZJTATNCPMKR-UHFFFAOYSA-N
XLogP6.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71181186) is N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(Nc4ccccc4OC)c3c2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HTUZJTATNCPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-32-21-9-5-7-18(15-21)19-12-13-23-22(16-19)27(30-24-10-3-4-11-25(24)33-2)31-26(29-23)20-8-6-14-28-17-20/h3-17H,1-2H3,(H,29,30,31).
What are the key properties of N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 434.50 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71181186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).