2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride

C20H24ClN5O — CID 52995635

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-21-19-17-5-3-4-6-18(17)22-20(23-19)25-13-11-24(12-14-25)15-7-9-16(26-2)10-8-15;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H
InChIKeyTZYLIYMAGJVOCW-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride (PubChem CID 52995635) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
PubChem CID52995635
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-21-19-17-5-3-4-6-18(17)22-20(23-19)25-13-11-24(12-14-25)15-7-9-16(26-2)10-8-15;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H
InChIKeyTZYLIYMAGJVOCW-UHFFFAOYSA-N
XLogP3.43
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 166235366
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
CID 2067296
N-methyl-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 56699064
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride (CID 52995635) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride is CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.Cl.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride?
The InChIKey is TZYLIYMAGJVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-21-19-17-5-3-4-6-18(17)22-20(23-19)25-13-11-24(12-14-25)15-7-9-16(26-2)10-8-15;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 52995635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).