N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide

C17H15FN4O — CID 19001462

IUPACN-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1F
InChIInChI=1S/C17H15FN4O/c1-10-4-3-5-12(6-10)22-17-13-7-16(21-11(2)23)14(18)8-15(13)19-9-20-17/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyDDDUBAZASMDJAH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.78
Rot. Bonds3

About N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide

N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide (PubChem CID 19001462) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
PubChem CID19001462
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1F
InChIInChI=1S/C17H15FN4O/c1-10-4-3-5-12(6-10)22-17-13-7-16(21-11(2)23)14(18)8-15(13)19-9-20-17/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyDDDUBAZASMDJAH-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
1-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]pyrrolidin-2-one
CID 19001467
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
1-[4-[[5-amino-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19148242
N-[4-(3-chloro-4-fluoroanilino)-7-(3-chloropropoxy)quinazolin-6-yl]acetamide
CID 90322885
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-oxopent-2-enamide
CID 5329078
N-[3-fluoro-2-[4-[(6-fluoro-7-hydroxyquinazolin-4-yl)amino]pyrazol-1-yl]phenyl]acetamide
CID 174649264
6-(2-hydroxyethylamino)-4-(3-methylanilino)quinazolin-7-ol;6-(2-methoxyethylamino)-4-(3-methylanilino)quinazolin-7-ol
CID 157473704

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide?
The IUPAC name of N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide (CID 19001462) is N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide?
The canonical SMILES for N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide is CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1F.
What is the InChIKey of N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide?
The InChIKey is DDDUBAZASMDJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-4-3-5-12(6-10)22-17-13-7-16(21-11(2)23)14(18)8-15(13)19-9-20-17/h3-9H,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide?
N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide is sourced from PubChem (CID 19001462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).