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

C20H15ClN4 — CID 90094571

IUPAC6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C20H15ClN4/c1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25)
InChIKeyNUMWUHVOGZKCKV-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.90
Rot. Bonds2

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

6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 90094571) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID90094571
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C20H15ClN4/c1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25)
InChIKeyNUMWUHVOGZKCKV-UHFFFAOYSA-N
XLogP4.90
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine (CID 90094571) is 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine is Cc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is NUMWUHVOGZKCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18/h2-11H,1H3,(H2,22,24,25).
What are the key properties of 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 90094571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).