2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride

C24H26ClN5O — CID 11834410

IUPAC2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(CN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H25N5O.ClH/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20;/h1-11,16H,12-15,17-18H2,(H,25,26,27);1H
InChIKeyURASQJJESLYAKM-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride (PubChem CID 11834410) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
PubChem CID11834410
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc(CN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H25N5O.ClH/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20;/h1-11,16H,12-15,17-18H2,(H,25,26,27);1H
InChIKeyURASQJJESLYAKM-UHFFFAOYSA-N
XLogP4.58
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

AC1903
CID 667146
4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
Antimalarial agent 13
CID 1285085
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
Piperazine, 1-(4-amino-6-bromo-2-quinazolinyl)-4-(2-furanylcarbonyl)-, monohydrochloride
CID 3066781
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
CID 2952918
CID 2952918
6-chloro-N-(furan-3-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25147771

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride (CID 11834410) is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride is Cl.c1ccc(CN2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The InChIKey is URASQJJESLYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.ClH/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20;/h1-11,16H,12-15,17-18H2,(H,25,26,27);1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 11834410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).