N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine

C15H14ClN3S — CID 112843876

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C15H14ClN3S/c1-10-2-4-13-12(8-10)15(19-9-18-13)17-7-6-11-3-5-14(16)20-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyWZFYLDSAQWPOFI-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine (PubChem CID 112843876) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
PubChem CID112843876
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C15H14ClN3S/c1-10-2-4-13-12(8-10)15(19-9-18-13)17-7-6-11-3-5-14(16)20-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyWZFYLDSAQWPOFI-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[(5-chlorothiophen-2-yl)methyl]quinazoline-4,6-diamine
CID 64589914
N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine
CID 112843885
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106042449
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-methylquinazolin-4-amine
CID 133428294
5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395378
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 106042487
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-methyl-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327399

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine (CID 112843876) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NCCc3ccc(Cl)s3)c2c1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine?
The InChIKey is WZFYLDSAQWPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-2-4-13-12(8-10)15(19-9-18-13)17-7-6-11-3-5-14(16)20-11/h2-5,8-9H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 112843876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).