N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine

C19H22N4 — CID 1162379

IUPACN',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C19H22N4/c1-14-8-10-15(11-9-14)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,21,22)
InChIKeyYRVADAYVZPUTCZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.58
Rot. Bonds5

About N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine (PubChem CID 1162379) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine
PubChem CID1162379
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C19H22N4/c1-14-8-10-15(11-9-14)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,21,22)
InChIKeyYRVADAYVZPUTCZ-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine (CID 1162379) is N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine is Cc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is YRVADAYVZPUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-8-10-15(11-9-14)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-23(2)3/h4-11H,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-methylphenyl)quinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 1162379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).