N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine

C23H23N5S — CID 140543118

IUPACN-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(-c5ccccc5)s4)ccc3n2)CC1
InChIInChI=1S/C23H23N5S/c1-27-11-13-28(14-12-27)26-23-24-16-19-15-18(7-8-20(19)25-23)22-10-9-21(29-22)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
InChIKeyFUONGKNSOIIXKB-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.60
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine (PubChem CID 140543118) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
PubChem CID140543118
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(-c5ccccc5)s4)ccc3n2)CC1
InChIInChI=1S/C23H23N5S/c1-27-11-13-28(14-12-27)26-23-24-16-19-15-18(7-8-20(19)25-23)22-10-9-21(29-22)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)
InChIKeyFUONGKNSOIIXKB-UHFFFAOYSA-N
XLogP4.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylpiperazin-1-yl)-6-(3-nitrophenyl)quinazolin-2-amine
CID 140543145
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
CID 140543104
N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
CID 140543194
N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
CID 140543173
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
CID 140543146
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
CID 103204435
3-[2-(propan-2-ylamino)quinazolin-6-yl]benzoic acid
CID 67061417

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine (CID 140543118) is N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine is CN1CCN(Nc2ncc3cc(-c4ccc(-c5ccccc5)s4)ccc3n2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine?
The InChIKey is FUONGKNSOIIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-27-11-13-28(14-12-27)26-23-24-16-19-15-18(7-8-20(19)25-23)22-10-9-21(29-22)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine has a molecular weight of 401.54 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine is sourced from PubChem (CID 140543118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).