4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine

C14H13ClN4S — CID 106036940

IUPAC4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCc3ccc(Cl)s3)ncnc2c1
InChIInChI=1S/C14H13ClN4S/c15-13-4-2-10(20-13)5-6-17-14-11-3-1-9(16)7-12(11)18-8-19-14/h1-4,7-8H,5-6,16H2,(H,17,18,19)
InChIKeyUQYGUFRASSRBKP-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.58
Rot. Bonds4

About 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine

4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine (PubChem CID 106036940) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
PubChem CID106036940
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCc3ccc(Cl)s3)ncnc2c1
InChIInChI=1S/C14H13ClN4S/c15-13-4-2-10(20-13)5-6-17-14-11-3-1-9(16)7-12(11)18-8-19-14/h1-4,7-8H,5-6,16H2,(H,17,18,19)
InChIKeyUQYGUFRASSRBKP-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
CID 112843876
4-N-[(5-chlorothiophen-2-yl)methyl]quinazoline-4,6-diamine
CID 64589914
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001265
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 106042487
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine (CID 106036940) is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine is Nc1ccc2c(NCCc3ccc(Cl)s3)ncnc2c1.
What is the InChIKey of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine?
The InChIKey is UQYGUFRASSRBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-13-4-2-10(20-13)5-6-17-14-11-3-1-9(16)7-12(11)18-8-19-14/h1-4,7-8H,5-6,16H2,(H,17,18,19).
What are the key properties of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine?
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine has a molecular weight of 304.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 106036940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).