N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine

C23H29N5OS — CID 142977189

IUPACN-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine
SMILESCCNc1nc(C(C)N2CCN(Sc3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5OS/c1-4-24-23-20-7-5-6-8-21(20)25-22(26-23)17(2)27-13-15-28(16-14-27)30-19-11-9-18(29-3)10-12-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,25,26)
InChIKeyUEZOXQNGQCMCTI-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.46
Rot. Bonds7

About N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine

N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine (PubChem CID 142977189) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine
PubChem CID142977189
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC NameN-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine
SMILESCCNc1nc(C(C)N2CCN(Sc3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5OS/c1-4-24-23-20-7-5-6-8-21(20)25-22(26-23)17(2)27-13-15-28(16-14-27)30-19-11-9-18(29-3)10-12-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,25,26)
InChIKeyUEZOXQNGQCMCTI-UHFFFAOYSA-N
XLogP4.46
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazoline
CID 142977169
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632137
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551
N-benzyl-2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632164
2-[(1S)-1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine
CID 98046788
N-(2-phenylethyl)-2-[(1R)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 98046882
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine
CID 23632209
N-[(2-methoxyphenyl)methyl]-2-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 23632258
2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
CID 142877613
N-(3-methoxyphenyl)-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 92753585
N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
CID 142877709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine?
The IUPAC name of N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine (CID 142977189) is N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine is CCNc1nc(C(C)N2CCN(Sc3ccc(OC)cc3)CC2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine?
The InChIKey is UEZOXQNGQCMCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-4-24-23-20-7-5-6-8-21(20)25-22(26-23)17(2)27-13-15-28(16-14-27)30-19-11-9-18(29-3)10-12-19/h5-12,17H,4,13-16H2,1-3H3,(H,24,25,26).
What are the key properties of N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine?
N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine has a molecular weight of 423.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[4-(4-methoxyphenyl)sulfanylpiperazin-1-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 142977189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).