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

C23H29N5O — CID 11474810

IUPACN,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine
SMILESCN(C)CCOc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-26(2)16-17-29-23-20-6-4-5-7-21(20)24-22(25-23)18-8-10-19(11-9-18)28-14-12-27(3)13-15-28/h4-11H,12-17H2,1-3H3
InChIKeyAVZWCYTVUMJYQE-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.99
Rot. Bonds6

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

N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine (PubChem CID 11474810) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine
PubChem CID11474810
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine
SMILESCN(C)CCOc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-26(2)16-17-29-23-20-6-4-5-7-21(20)24-22(25-23)18-8-10-19(11-9-18)28-14-12-27(3)13-15-28/h4-11H,12-17H2,1-3H3
InChIKeyAVZWCYTVUMJYQE-UHFFFAOYSA-N
XLogP2.99
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine (CID 11474810) is N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine is CN(C)CCOc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine?
The InChIKey is AVZWCYTVUMJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-26(2)16-17-29-23-20-6-4-5-7-21(20)24-22(25-23)18-8-10-19(11-9-18)28-14-12-27(3)13-15-28/h4-11H,12-17H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine?
N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine has a molecular weight of 391.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]oxyethanamine is sourced from PubChem (CID 11474810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).