6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine

C20H15ClN4O — CID 118437897

IUPAC6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(Cl)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C20H15ClN4O/c1-26-13-5-6-17(21)15(10-13)19-14(3-2-8-23-19)12-4-7-18-16(9-12)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25)
InChIKeyIGPPAYFNVPJHDH-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.60
Rot. Bonds3

About 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 118437897) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID118437897
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCOc1ccc(Cl)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C20H15ClN4O/c1-26-13-5-6-17(21)15(10-13)19-14(3-2-8-23-19)12-4-7-18-16(9-12)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25)
InChIKeyIGPPAYFNVPJHDH-UHFFFAOYSA-N
XLogP4.60
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine (CID 118437897) is 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine is COc1ccc(Cl)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.
What is the InChIKey of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is IGPPAYFNVPJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-26-13-5-6-17(21)15(10-13)19-14(3-2-8-23-19)12-4-7-18-16(9-12)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25).
What are the key properties of 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 362.82 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 118437897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).