N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline

C21H25N5 — CID 3234986

IUPACN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline
SMILESCN1CCN(c2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C21H25N5/c1-24(2)17-10-8-16(9-11-17)20-22-19-7-5-4-6-18(19)21(23-20)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3
InChIKeyADJQLRFQADUNLT-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.11
Rot. Bonds3

About N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline

N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline (PubChem CID 3234986) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline
PubChem CID3234986
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline
SMILESCN1CCN(c2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)CC1
InChIInChI=1S/C21H25N5/c1-24(2)17-10-8-16(9-11-17)20-22-19-7-5-4-6-18(19)21(23-20)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3
InChIKeyADJQLRFQADUNLT-UHFFFAOYSA-N
XLogP3.11
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline (CID 3234986) is N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline is CN1CCN(c2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline?
The InChIKey is ADJQLRFQADUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-24(2)17-10-8-16(9-11-17)20-22-19-7-5-4-6-18(19)21(23-20)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline?
N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline has a molecular weight of 347.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]aniline is sourced from PubChem (CID 3234986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).