N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine

C26H29N5O3 — CID 16811524

IUPACN-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine
SMILESCOc1cccc(OCCN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H29N5O3/c1-32-20-6-4-7-21(18-20)34-17-15-30-11-13-31(14-12-30)26-28-24-10-3-2-9-23(24)25(29-26)27-19-22-8-5-16-33-22/h2-10,16,18H,11-15,17,19H2,1H3,(H,27,28,29)
InChIKeyZAGVJBKLTUSYHW-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.04
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine

N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine (PubChem CID 16811524) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine
PubChem CID16811524
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine
SMILESCOc1cccc(OCCN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H29N5O3/c1-32-20-6-4-7-21(18-20)34-17-15-30-11-13-31(14-12-30)26-28-24-10-3-2-9-23(24)25(29-26)27-19-22-8-5-16-33-22/h2-10,16,18H,11-15,17,19H2,1H3,(H,27,28,29)
InChIKeyZAGVJBKLTUSYHW-UHFFFAOYSA-N
XLogP4.04
TPSA75.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine (CID 16811524) is N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine is COc1cccc(OCCN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine?
The InChIKey is ZAGVJBKLTUSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-32-20-6-4-7-21(18-20)34-17-15-30-11-13-31(14-12-30)26-28-24-10-3-2-9-23(24)25(29-26)27-19-22-8-5-16-33-22/h2-10,16,18H,11-15,17,19H2,1H3,(H,27,28,29).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine?
N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine has a molecular weight of 459.55 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 16811524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).