2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C24H25N5OS — CID 91963614

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H25N5OS/c1-30-19-10-8-18(9-11-19)28-12-14-29(15-13-28)24-26-22-7-3-2-6-21(22)23(27-24)25-17-20-5-4-16-31-20/h2-11,16H,12-15,17H2,1H3,(H,25,26,27)
InChIKeyYVOHJQMRQDOLDL-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 91963614) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID91963614
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H25N5OS/c1-30-19-10-8-18(9-11-19)28-12-14-29(15-13-28)24-26-22-7-3-2-6-21(22)23(27-24)25-17-20-5-4-16-31-20/h2-11,16H,12-15,17H2,1H3,(H,25,26,27)
InChIKeyYVOHJQMRQDOLDL-UHFFFAOYSA-N
XLogP4.64
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963642
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
2-N-(2,4-dimethoxyphenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963577
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 91963614) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COc1ccc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is YVOHJQMRQDOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-30-19-10-8-18(9-11-19)28-12-14-29(15-13-28)24-26-22-7-3-2-6-21(22)23(27-24)25-17-20-5-4-16-31-20/h2-11,16H,12-15,17H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 431.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 91963614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).