N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline

C20H23N5 — CID 3234272

IUPACN,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
SMILESCN(C)c1ccc(-c2ccc3ncnc(N4CCNCC4)c3c2)cc1
InChIInChI=1S/C20H23N5/c1-24(2)17-6-3-15(4-7-17)16-5-8-19-18(13-16)20(23-14-22-19)25-11-9-21-10-12-25/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyBUUPDGYQVJBVPQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline

N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline (PubChem CID 3234272) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
PubChem CID3234272
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
SMILESCN(C)c1ccc(-c2ccc3ncnc(N4CCNCC4)c3c2)cc1
InChIInChI=1S/C20H23N5/c1-24(2)17-6-3-15(4-7-17)16-5-8-19-18(13-16)20(23-14-22-19)25-11-9-21-10-12-25/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyBUUPDGYQVJBVPQ-UHFFFAOYSA-N
XLogP2.77
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline (CID 3234272) is N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline is CN(C)c1ccc(-c2ccc3ncnc(N4CCNCC4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline?
The InChIKey is BUUPDGYQVJBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-24(2)17-6-3-15(4-7-17)16-5-8-19-18(13-16)20(23-14-22-19)25-11-9-21-10-12-25/h3-8,13-14,21H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline?
N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline has a molecular weight of 333.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline is sourced from PubChem (CID 3234272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).