N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride

C23H24ClN5O — CID 660740

IUPACN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
SMILES[Cl-].[H+].c1ccc(N2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H23N5O.ClH/c1-2-7-18(8-3-1)27-12-14-28(15-13-27)23-25-21-11-5-4-10-20(21)22(26-23)24-17-19-9-6-16-29-19;/h1-11,16H,12-15,17H2,(H,24,25,26);1H
InChIKeyCNXUBVFHCOZPCR-UHFFFAOYSA-N
MW421.93 g/mol
LogP1.28
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride

N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride (PubChem CID 660740) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
PubChem CID660740
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
SMILES[Cl-].[H+].c1ccc(N2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H23N5O.ClH/c1-2-7-18(8-3-1)27-12-14-28(15-13-27)23-25-21-11-5-4-10-20(21)22(26-23)24-17-19-9-6-16-29-19;/h1-11,16H,12-15,17H2,(H,24,25,26);1H
InChIKeyCNXUBVFHCOZPCR-UHFFFAOYSA-N
XLogP1.28
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride (CID 660740) is N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride is [Cl-].[H+].c1ccc(N2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride?
The InChIKey is CNXUBVFHCOZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.ClH/c1-2-7-18(8-3-1)27-12-14-28(15-13-27)23-25-21-11-5-4-10-20(21)22(26-23)24-17-19-9-6-16-29-19;/h1-11,16H,12-15,17H2,(H,24,25,26);1H.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride?
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride has a molecular weight of 421.93 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride is sourced from PubChem (CID 660740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).