6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine

C19H21N5 — CID 132609713

IUPAC6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
SMILESCN1CCN(c2ccc3ncnc(Nc4ccccc4)c3c2)CC1
InChIInChI=1S/C19H21N5/c1-23-9-11-24(12-10-23)16-7-8-18-17(13-16)19(21-14-20-18)22-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21,22)
InChIKeyIYAIDLURELNZLZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.13
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine

6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine (PubChem CID 132609713) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
PubChem CID132609713
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
SMILESCN1CCN(c2ccc3ncnc(Nc4ccccc4)c3c2)CC1
InChIInChI=1S/C19H21N5/c1-23-9-11-24(12-10-23)16-7-8-18-17(13-16)19(21-14-20-18)22-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21,22)
InChIKeyIYAIDLURELNZLZ-UHFFFAOYSA-N
XLogP3.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilinoquinazolin-6-ol;ethane
CID 91520479
N,6-diphenylquinazolin-4-amine
CID 86766666
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
6-iodo-N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 23822629
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
1-[4-[4-[(6-phenoxy-3-pyridinyl)amino]quinazolin-6-yl]piperazin-1-yl]prop-2-en-1-one
CID 166539996
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551712
6-morpholin-4-yl-N-propylquinazolin-4-amine
CID 56942638

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine (CID 132609713) is 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine is CN1CCN(c2ccc3ncnc(Nc4ccccc4)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The InChIKey is IYAIDLURELNZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-9-11-24(12-10-23)16-7-8-18-17(13-16)19(21-14-20-18)22-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 132609713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).