N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide

C21H23FN4O — CID 86305445

IUPACN-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN4O/c1-14(2)21(27)26(3)17-7-4-15(5-8-17)10-11-23-20-18-12-16(22)6-9-19(18)24-13-25-20/h4-9,12-14H,10-11H2,1-3H3,(H,23,24,25)
InChIKeyXREIBVJFMILPGC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide

N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide (PubChem CID 86305445) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
PubChem CID86305445
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C21H23FN4O/c1-14(2)21(27)26(3)17-7-4-15(5-8-17)10-11-23-20-18-12-16(22)6-9-19(18)24-13-25-20/h4-9,12-14H,10-11H2,1-3H3,(H,23,24,25)
InChIKeyXREIBVJFMILPGC-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
CID 86305545
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305990
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
CID 144916183
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987
N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
CID 71378888

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide (CID 86305445) is N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc(CCNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide?
The InChIKey is XREIBVJFMILPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14(2)21(27)26(3)17-7-4-15(5-8-17)10-11-23-20-18-12-16(22)6-9-19(18)24-13-25-20/h4-9,12-14H,10-11H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide?
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide has a molecular weight of 366.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 86305445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).