8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

C22H24BrFN4O2 — CID 170753248

IUPAC8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc([C@@H](C)Nc2ccc(F)cc2Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C22H24BrFN4O2/c1-13-10-16(14(2)25-19-5-4-15(24)12-18(19)23)20-17(11-13)21(29)27(3)22(26-20)28-6-8-30-9-7-28/h4-5,10-12,14,25H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyNUGMVVLYGVWDHR-CQSZACIVSA-N
MW475.36 g/mol
LogP4.15
Rot. Bonds4

About 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one

8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753248) has the molecular formula C22H24BrFN4O2 and a molecular weight of 475.36 g/mol. Its IUPAC name is 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753248
Molecular FormulaC22H24BrFN4O2
Molecular Weight475.36 g/mol
Exact Mass474.11
IUPAC Name8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc([C@@H](C)Nc2ccc(F)cc2Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C22H24BrFN4O2/c1-13-10-16(14(2)25-19-5-4-15(24)12-18(19)23)20-17(11-13)21(29)27(3)22(26-20)28-6-8-30-9-7-28/h4-5,10-12,14,25H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyNUGMVVLYGVWDHR-CQSZACIVSA-N
XLogP4.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one 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

2-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-4-fluorobenzoic acid
CID 170753603
2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753683
4-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]thiophene-3-carboxylic acid
CID 170754055
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
8-[(1R)-1-[4-fluoro-2-[(3S)-3-hydroxypiperidin-1-yl]anilino]ethyl]-3,6-dimethyl-2-(oxan-4-yl)quinazolin-4-one
CID 170753137
8-[(1R)-1-[4-fluoro-2-(4-hydroxypiperidin-1-yl)anilino]ethyl]-3,6-dimethyl-2-(4-methyloxan-4-yl)quinazolin-4-one
CID 170753689
6-chloro-3-[1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]-N-(oxetan-3-ylsulfanyl)pyridine-2-carboxamide
CID 176692791
2-[1-[2-(4,4-difluoropiperidin-1-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 169212672

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one (CID 170753248) is 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is Cc1cc([C@@H](C)Nc2ccc(F)cc2Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is NUGMVVLYGVWDHR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24BrFN4O2/c1-13-10-16(14(2)25-19-5-4-15(24)12-18(19)23)20-17(11-13)21(29)27(3)22(26-20)28-6-8-30-9-7-28/h4-5,10-12,14,25H,6-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one?
8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 475.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-(2-bromo-4-fluoroanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).