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

C23H30N6 — CID 44589026

IUPACN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C23H30N6/c1-27(2)13-12-24-23-20-6-4-5-7-21(20)25-22(26-23)18-8-10-19(11-9-18)29-16-14-28(3)15-17-29/h4-11H,12-17H2,1-3H3,(H,24,25,26)
InChIKeyQYSDZDWFJBQSFW-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.02
Rot. Bonds6

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

N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine (PubChem CID 44589026) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine
PubChem CID44589026
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C23H30N6/c1-27(2)13-12-24-23-20-6-4-5-7-21(20)25-22(26-23)18-8-10-19(11-9-18)29-16-14-28(3)15-17-29/h4-11H,12-17H2,1-3H3,(H,24,25,26)
InChIKeyQYSDZDWFJBQSFW-UHFFFAOYSA-N
XLogP3.02
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine (CID 44589026) is N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine is CN(C)CCNc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is QYSDZDWFJBQSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-27(2)13-12-24-23-20-6-4-5-7-21(20)25-22(26-23)18-8-10-19(11-9-18)29-16-14-28(3)15-17-29/h4-11H,12-17H2,1-3H3,(H,24,25,26).
What are the key properties of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 390.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 44589026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).