N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide

C18H16ClFN4O — CID 86305990

IUPACN-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ncnc3ccc(F)cc23)cc1Cl
InChIInChI=1S/C18H16ClFN4O/c1-11(25)24-17-4-2-12(8-15(17)19)6-7-21-18-14-9-13(20)3-5-16(14)22-10-23-18/h2-5,8-10H,6-7H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyWGQFIFGXYBXKJK-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.04
Rot. Bonds5

About N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide

N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 86305990) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID86305990
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC NameN-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNc2ncnc3ccc(F)cc23)cc1Cl
InChIInChI=1S/C18H16ClFN4O/c1-11(25)24-17-4-2-12(8-15(17)19)6-7-21-18-14-9-13(20)3-5-16(14)22-10-23-18/h2-5,8-10H,6-7H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyWGQFIFGXYBXKJK-UHFFFAOYSA-N
XLogP4.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
CID 86305445
N-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 99811987
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
CID 86305545
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
CID 133383092
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 56942640

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide (CID 86305990) is N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNc2ncnc3ccc(F)cc23)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is WGQFIFGXYBXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-11(25)24-17-4-2-12(8-15(17)19)6-7-21-18-14-9-13(20)3-5-16(14)22-10-23-18/h2-5,8-10H,6-7H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide?
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 358.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 86305990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).