1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine

C18H20N4 — CID 11403596

IUPAC1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine
SMILESCc1nc(N(C)c2ccc(N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C18H20N4/c1-13-19-17-8-6-5-7-16(17)18(20-13)22(4)15-11-9-14(10-12-15)21(2)3/h5-12H,1-4H3
InChIKeyPSBCEFQRMKLLLK-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.77
Rot. Bonds3

About 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine

1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine (PubChem CID 11403596) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine
PubChem CID11403596
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine
SMILESCc1nc(N(C)c2ccc(N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C18H20N4/c1-13-19-17-8-6-5-7-16(17)18(20-13)22(4)15-11-9-14(10-12-15)21(2)3/h5-12H,1-4H3
InChIKeyPSBCEFQRMKLLLK-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine (CID 11403596) is 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine is Cc1nc(N(C)c2ccc(N(C)C)cc2)c2ccccc2n1.
What is the InChIKey of 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine?
The InChIKey is PSBCEFQRMKLLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-19-17-8-6-5-7-16(17)18(20-13)22(4)15-11-9-14(10-12-15)21(2)3/h5-12H,1-4H3.
What are the key properties of 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine?
1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-trimethyl-4-N-(2-methylquinazolin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 11403596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).