N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride

C18H20ClN3 — CID 18770810

IUPACN,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride
SMILESCc1cccc(N(C)c2ncnc3cc(C)c(C)cc23)c1.Cl
InChIInChI=1S/C18H19N3.ClH/c1-12-6-5-7-15(8-12)21(4)18-16-9-13(2)14(3)10-17(16)19-11-20-18;/h5-11H,1-4H3;1H
InChIKeySOWYIIFCVPQQBN-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.74
Rot. Bonds2

About N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride

N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 18770810) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride
PubChem CID18770810
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC NameN,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride
SMILESCc1cccc(N(C)c2ncnc3cc(C)c(C)cc23)c1.Cl
InChIInChI=1S/C18H19N3.ClH/c1-12-6-5-7-15(8-12)21(4)18-16-9-13(2)14(3)10-17(16)19-11-20-18;/h5-11H,1-4H3;1H
InChIKeySOWYIIFCVPQQBN-UHFFFAOYSA-N
XLogP4.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride (CID 18770810) is N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride is Cc1cccc(N(C)c2ncnc3cc(C)c(C)cc23)c1.Cl.
What is the InChIKey of N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is SOWYIIFCVPQQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-12-6-5-7-15(8-12)21(4)18-16-9-13(2)14(3)10-17(16)19-11-20-18;/h5-11H,1-4H3;1H.
What are the key properties of N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride?
N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,7-trimethyl-N-(3-methylphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 18770810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).