N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine

C22H29N5S — CID 30725151

IUPACN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESCC(C)[C@H](CNc1nc(-c2ccsc2)nc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C22H29N5S/c1-16(2)20(27-11-9-26(3)10-12-27)14-23-22-18-6-4-5-7-19(18)24-21(25-22)17-8-13-28-15-17/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,23,24,25)/t20-/m0/s1
InChIKeyOWZXRRKSEMPDCX-FQEVSTJZSA-N
MW395.58 g/mol
LogP4.04
Rot. Bonds6

About N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine

N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 30725151) has the molecular formula C22H29N5S and a molecular weight of 395.58 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
PubChem CID30725151
Molecular FormulaC22H29N5S
Molecular Weight395.58 g/mol
Exact Mass395.21
IUPAC NameN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESCC(C)[C@H](CNc1nc(-c2ccsc2)nc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C22H29N5S/c1-16(2)20(27-11-9-26(3)10-12-27)14-23-22-18-6-4-5-7-19(18)24-21(25-22)17-8-13-28-15-17/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,23,24,25)/t20-/m0/s1
InChIKeyOWZXRRKSEMPDCX-FQEVSTJZSA-N
XLogP4.04
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371007
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 36834207
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine (CID 30725151) is N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine is CC(C)[C@H](CNc1nc(-c2ccsc2)nc2ccccc12)N1CCN(C)CC1.
What is the InChIKey of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is OWZXRRKSEMPDCX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5S/c1-16(2)20(27-11-9-26(3)10-12-27)14-23-22-18-6-4-5-7-19(18)24-21(25-22)17-8-13-28-15-17/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,23,24,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine?
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 395.58 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 30725151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).