N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine

C27H29N5O2S — CID 4997573

IUPACN-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1
InChIInChI=1S/C27H29N5O2S/c33-35(34,23-14-13-20-7-1-2-8-21(20)19-23)32-17-15-31(16-18-32)27-29-25-12-6-5-11-24(25)26(30-27)28-22-9-3-4-10-22/h1-2,5-8,11-14,19,22H,3-4,9-10,15-18H2,(H,28,29,30)
InChIKeyHSOXXMCUDPOEPM-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.65
Rot. Bonds5

About N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine

N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 4997573) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
PubChem CID4997573
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC NameN-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1
InChIInChI=1S/C27H29N5O2S/c33-35(34,23-14-13-20-7-1-2-8-21(20)19-23)32-17-15-31(16-18-32)27-29-25-12-6-5-11-24(25)26(30-27)28-22-9-3-4-10-22/h1-2,5-8,11-14,19,22H,3-4,9-10,15-18H2,(H,28,29,30)
InChIKeyHSOXXMCUDPOEPM-UHFFFAOYSA-N
XLogP4.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 41263344
N-cyclohexyl-2-[(1R)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 92753646
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
2-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine
CID 23632158
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylquinazolin-4-amine
CID 91966139
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
N-cyclohexyl-2-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046740
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659
N-hydroxy-4-(hydroxyamino)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 58845086
2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 59682658
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine (CID 4997573) is N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1.
What is the InChIKey of N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is HSOXXMCUDPOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c33-35(34,23-14-13-20-7-1-2-8-21(20)19-23)32-17-15-31(16-18-32)27-29-25-12-6-5-11-24(25)26(30-27)28-22-9-3-4-10-22/h1-2,5-8,11-14,19,22H,3-4,9-10,15-18H2,(H,28,29,30).
What are the key properties of N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine?
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 487.63 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 4997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).