N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide

C14H16FN3O — CID 66657446

IUPACN-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide
SMILESCc1ncc2c(NC(=O)C(C)(C)C)cc(F)cc2n1
InChIInChI=1S/C14H16FN3O/c1-8-16-7-10-11(17-8)5-9(15)6-12(10)18-13(19)14(2,3)4/h5-7H,1-4H3,(H,18,19)
InChIKeyFHAYVRRALZIPTF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds1

About N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide

N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide (PubChem CID 66657446) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide
PubChem CID66657446
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide
SMILESCc1ncc2c(NC(=O)C(C)(C)C)cc(F)cc2n1
InChIInChI=1S/C14H16FN3O/c1-8-16-7-10-11(17-8)5-9(15)6-12(10)18-13(19)14(2,3)4/h5-7H,1-4H3,(H,18,19)
InChIKeyFHAYVRRALZIPTF-UHFFFAOYSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
2-chloro-5-[(7-fluoro-2-methylquinazolin-5-yl)amino]-3,8,8-trimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-dicarbaldehyde
CID 87092840
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
(1S,2S)-1-[(7-fluoro-2-methylquinazolin-5-yl)amino]-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68680215
N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
CID 68899264
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
2-(2,2-dimethylpropanoylamino)-4-fluoro-6-phenylmethoxybenzoic acid
CID 90117385
N-(4-ethynyl-2-fluorophenyl)-2,2-dimethylpropanamide
CID 139782044

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide (CID 66657446) is N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide is Cc1ncc2c(NC(=O)C(C)(C)C)cc(F)cc2n1.
What is the InChIKey of N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide?
The InChIKey is FHAYVRRALZIPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8-16-7-10-11(17-8)5-9(15)6-12(10)18-13(19)14(2,3)4/h5-7H,1-4H3,(H,18,19).
What are the key properties of N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide?
N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide has a molecular weight of 261.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-methylquinazolin-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 66657446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).