N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine

C24H30N6O — CID 67102042

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(OC5CCNCC5)cc4n3)c2)CC1
InChIInChI=1S/C24H30N6O/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-24-26-17-18-5-6-22(16-23(18)28-24)31-21-7-9-25-10-8-21/h2-6,15-17,21,25H,7-14H2,1H3,(H,26,27,28)
InChIKeyKUWMUZRIGXGNKL-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67102042) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67102042
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(OC5CCNCC5)cc4n3)c2)CC1
InChIInChI=1S/C24H30N6O/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-24-26-17-18-5-6-22(16-23(18)28-24)31-21-7-9-25-10-8-21/h2-6,15-17,21,25H,7-14H2,1H3,(H,26,27,28)
InChIKeyKUWMUZRIGXGNKL-UHFFFAOYSA-N
XLogP3.26
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine (CID 67102042) is N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine is CN1CCN(c2cccc(Nc3ncc4ccc(OC5CCNCC5)cc4n3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is KUWMUZRIGXGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-29-11-13-30(14-12-29)20-4-2-3-19(15-20)27-24-26-17-18-5-6-22(16-23(18)28-24)31-21-7-9-25-10-8-21/h2-6,15-17,21,25H,7-14H2,1H3,(H,26,27,28).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine?
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 418.55 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67102042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).