N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

C24H26N6S — CID 30727958

IUPACN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN1CCN([C@@H](CNc2nc(-c3cccnc3)nc3ccccc23)c2cccs2)CC1
InChIInChI=1S/C24H26N6S/c1-29-11-13-30(14-12-29)21(22-9-5-15-31-22)17-26-24-19-7-2-3-8-20(19)27-23(28-24)18-6-4-10-25-16-18/h2-10,15-16,21H,11-14,17H2,1H3,(H,26,27,28)/t21-/m0/s1
InChIKeyHUGYZANTNTXAAM-NRFANRHFSA-N
MW430.58 g/mol
LogP4.15
Rot. Bonds6

About N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 30727958) has the molecular formula C24H26N6S and a molecular weight of 430.58 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID30727958
Molecular FormulaC24H26N6S
Molecular Weight430.58 g/mol
Exact Mass430.19
IUPAC NameN-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCN1CCN([C@@H](CNc2nc(-c3cccnc3)nc3ccccc23)c2cccs2)CC1
InChIInChI=1S/C24H26N6S/c1-29-11-13-30(14-12-29)21(22-9-5-15-31-22)17-26-24-19-7-2-3-8-20(19)27-23(28-24)18-6-4-10-25-16-18/h2-10,15-16,21H,11-14,17H2,1H3,(H,26,27,28)/t21-/m0/s1
InChIKeyHUGYZANTNTXAAM-NRFANRHFSA-N
XLogP4.15
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 86898790
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 30725743
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 133323500
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
CID 30725151
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 30727958) is N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is CN1CCN([C@@H](CNc2nc(-c3cccnc3)nc3ccccc23)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HUGYZANTNTXAAM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N6S/c1-29-11-13-30(14-12-29)21(22-9-5-15-31-22)17-26-24-19-7-2-3-8-20(19)27-23(28-24)18-6-4-10-25-16-18/h2-10,15-16,21H,11-14,17H2,1H3,(H,26,27,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 430.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 30727958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).