N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine

C23H29N5S — CID 59682699

IUPACN-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
SMILESc1csc(CCN2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C23H29N5S/c1-2-7-18(6-1)24-22-20-9-3-4-10-21(20)25-23(26-22)28-15-13-27(14-16-28)12-11-19-8-5-17-29-19/h3-5,8-10,17-18H,1-2,6-7,11-16H2,(H,24,25,26)
InChIKeyRJVIQPGZIMTVSQ-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.41
Rot. Bonds6

About N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine

N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine (PubChem CID 59682699) has the molecular formula C23H29N5S and a molecular weight of 407.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
PubChem CID59682699
Molecular FormulaC23H29N5S
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC NameN-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
SMILESc1csc(CCN2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C23H29N5S/c1-2-7-18(6-1)24-22-20-9-3-4-10-21(20)25-23(26-22)28-15-13-27(14-16-28)12-11-19-8-5-17-29-19/h3-5,8-10,17-18H,1-2,6-7,11-16H2,(H,24,25,26)
InChIKeyRJVIQPGZIMTVSQ-UHFFFAOYSA-N
XLogP4.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine?
The IUPAC name of N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine (CID 59682699) is N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine?
The canonical SMILES for N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine is c1csc(CCN2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)c1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine?
The InChIKey is RJVIQPGZIMTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S/c1-2-7-18(6-1)24-22-20-9-3-4-10-21(20)25-23(26-22)28-15-13-27(14-16-28)12-11-19-8-5-17-29-19/h3-5,8-10,17-18H,1-2,6-7,11-16H2,(H,24,25,26).
What are the key properties of N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine?
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine has a molecular weight of 407.59 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 59682699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).