8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one

C16H19F2N3O — CID 169154684

IUPAC8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3CC(F)(F)C3)n(C)c(=O)c2c1
InChIInChI=1S/C16H19F2N3O/c1-8-4-11(9(2)19)13-12(5-8)15(22)21(3)14(20-13)10-6-16(17,18)7-10/h4-5,9-10H,6-7,19H2,1-3H3/t9-/m1/s1
InChIKeyUABCNYGVNGXOLN-SECBINFHSA-N
MW307.34 g/mol
LogP2.77
Rot. Bonds2

About 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one

8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169154684) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
PubChem CID169154684
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc([C@@H](C)N)c2nc(C3CC(F)(F)C3)n(C)c(=O)c2c1
InChIInChI=1S/C16H19F2N3O/c1-8-4-11(9(2)19)13-12(5-8)15(22)21(3)14(20-13)10-6-16(17,18)7-10/h4-5,9-10H,6-7,19H2,1-3H3/t9-/m1/s1
InChIKeyUABCNYGVNGXOLN-SECBINFHSA-N
XLogP2.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one with MolForge

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Related Compounds

2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
6-(4-fluorophenyl)-2-isopropyl-3-[(1-isopropylpiperidin-3-yl)-methyl]quinazolin-4(3H)-one
CID 23631288
HDAC6-IN-4b
CID 71811295
(S)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorophenyl)-2-isopropylquinazolin-4(3H)-one
CID 44428671
2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-yl)cyclopent-1-enyl)-8-methylquinazolin-4(3H)-one
CID 135423306
8-Ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-3H-quinazolin-4-one
CID 135436639
3,3-Dimethyl-N-(4-methyl-cyclohexyl)-4-(4-oxo-3,4-dihydro-quinazolin-2-yl)-butyramide
CID 135456359
8-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-3H-quinazolin-4-one
CID 135531195
6-[[N-ethyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-2-methyl-3H-quinazolin-4-one
CID 136114646
2-[3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]propyl]-8-methyl-3H-quinazolin-4-one
CID 136446087
2-methyl-6-((methylamino)methyl)-4(3H)-quinazolinone
CID 135566758
(R)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorophenyl)-2-isopropylquinazolin-4(3H)-one
CID 44428674

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one (CID 169154684) is 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one is Cc1cc([C@@H](C)N)c2nc(C3CC(F)(F)C3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is UABCNYGVNGXOLN-SECBINFHSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-8-4-11(9(2)19)13-12(5-8)15(22)21(3)14(20-13)10-6-16(17,18)7-10/h4-5,9-10H,6-7,19H2,1-3H3/t9-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 307.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).