4-[2-(2-methylanilino)phenyl]quinazolin-2-amine

C21H18N4 — CID 70396785

IUPAC4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
SMILESCc1ccccc1Nc1ccccc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-14-8-2-5-11-17(14)23-18-12-6-3-9-15(18)20-16-10-4-7-13-19(16)24-21(22)25-20/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyURZGFAWCFBPSKO-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.93
Rot. Bonds3

About 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine

4-[2-(2-methylanilino)phenyl]quinazolin-2-amine (PubChem CID 70396785) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
PubChem CID70396785
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
SMILESCc1ccccc1Nc1ccccc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-14-8-2-5-11-17(14)23-18-12-6-3-9-15(18)20-16-10-4-7-13-19(16)24-21(22)25-20/h2-13,23H,1H3,(H2,22,24,25)
InChIKeyURZGFAWCFBPSKO-UHFFFAOYSA-N
XLogP4.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine?
The IUPAC name of 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine (CID 70396785) is 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine.
What is the SMILES notation for 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine?
The canonical SMILES for 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine is Cc1ccccc1Nc1ccccc1-c1nc(N)nc2ccccc12.
What is the InChIKey of 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine?
The InChIKey is URZGFAWCFBPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-8-2-5-11-17(14)23-18-12-6-3-9-15(18)20-16-10-4-7-13-19(16)24-21(22)25-20/h2-13,23H,1H3,(H2,22,24,25).
What are the key properties of 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine?
4-[2-(2-methylanilino)phenyl]quinazolin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylanilino)phenyl]quinazolin-2-amine is sourced from PubChem (CID 70396785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).