2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide

C13H15FN4O — CID 133383092

IUPAC2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc2ccc(F)cc12
InChIInChI=1S/C13H15FN4O/c1-2-5-15-12(19)7-16-13-10-6-9(14)3-4-11(10)17-8-18-13/h3-4,6,8H,2,5,7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCGNBYXVUUIZHKH-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.71
Rot. Bonds5

About 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide

2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide (PubChem CID 133383092) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
PubChem CID133383092
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc2ccc(F)cc12
InChIInChI=1S/C13H15FN4O/c1-2-5-15-12(19)7-16-13-10-6-9(14)3-4-11(10)17-8-18-13/h3-4,6,8H,2,5,7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCGNBYXVUUIZHKH-UHFFFAOYSA-N
XLogP1.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 133407832
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
CID 133428083
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
CID 86305545
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305990
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
CID 95771271

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide (CID 133383092) is 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncnc2ccc(F)cc12.
What is the InChIKey of 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide?
The InChIKey is CGNBYXVUUIZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-2-5-15-12(19)7-16-13-10-6-9(14)3-4-11(10)17-8-18-13/h3-4,6,8H,2,5,7H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide?
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide has a molecular weight of 262.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 133383092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).