N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine

C14H11ClFN3S — CID 55853674

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1ncnc2cccc(F)c12
InChIInChI=1S/C14H11ClFN3S/c1-19(7-9-5-6-12(15)20-9)14-13-10(16)3-2-4-11(13)17-8-18-14/h2-6,8H,7H2,1H3
InChIKeyPQCYDFUKNQVJID-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.12
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine (PubChem CID 55853674) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
PubChem CID55853674
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1ncnc2cccc(F)c12
InChIInChI=1S/C14H11ClFN3S/c1-19(7-9-5-6-12(15)20-9)14-13-10(16)3-2-4-11(13)17-8-18-14/h2-6,8H,7H2,1H3
InChIKeyPQCYDFUKNQVJID-UHFFFAOYSA-N
XLogP4.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 78901479
5-fluoro-N-methyl-N-(2H-tetrazol-5-ylmethyl)quinazolin-4-amine
CID 86777570
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286314

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine (CID 55853674) is N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine is CN(Cc1ccc(Cl)s1)c1ncnc2cccc(F)c12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
The InChIKey is PQCYDFUKNQVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-19(7-9-5-6-12(15)20-9)14-13-10(16)3-2-4-11(13)17-8-18-14/h2-6,8H,7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 55853674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).