6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one

C20H19ClFN3O — CID 177346602

IUPAC6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one
SMILESCc1c(Cl)cccc1C1(Nc2cc(F)c3ncn(C)c(=O)c3c2)CCC1
InChIInChI=1S/C20H19ClFN3O/c1-12-15(5-3-6-16(12)21)20(7-4-8-20)24-13-9-14-18(17(22)10-13)23-11-25(2)19(14)26/h3,5-6,9-11,24H,4,7-8H2,1-2H3
InChIKeyJOPQKLQRWXOVGY-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.53
Rot. Bonds3

About 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one

6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one (PubChem CID 177346602) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one
PubChem CID177346602
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one
SMILESCc1c(Cl)cccc1C1(Nc2cc(F)c3ncn(C)c(=O)c3c2)CCC1
InChIInChI=1S/C20H19ClFN3O/c1-12-15(5-3-6-16(12)21)20(7-4-8-20)24-13-9-14-18(17(22)10-13)23-11-25(2)19(14)26/h3,5-6,9-11,24H,4,7-8H2,1-2H3
InChIKeyJOPQKLQRWXOVGY-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one?
The IUPAC name of 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one (CID 177346602) is 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one?
The canonical SMILES for 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one is Cc1c(Cl)cccc1C1(Nc2cc(F)c3ncn(C)c(=O)c3c2)CCC1.
What is the InChIKey of 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one?
The InChIKey is JOPQKLQRWXOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-12-15(5-3-6-16(12)21)20(7-4-8-20)24-13-9-14-18(17(22)10-13)23-11-25(2)19(14)26/h3,5-6,9-11,24H,4,7-8H2,1-2H3.
What are the key properties of 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one?
6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one has a molecular weight of 371.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-2-methylphenyl)cyclobutyl]amino]-8-fluoro-3-methylquinazolin-4-one is sourced from PubChem (CID 177346602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).