(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one

C16H16ClN3O — CID 6924605

IUPAC(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O/c1-20(2)10-7-8-11(13(17)9-10)15-18-14-6-4-3-5-12(14)16(21)19-15/h3-9,15,18H,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyBOJFETQWYYHJKX-HNNXBMFYSA-N
MW301.78 g/mol
LogP3.26
Rot. Bonds2

About (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 6924605) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID6924605
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O/c1-20(2)10-7-8-11(13(17)9-10)15-18-14-6-4-3-5-12(14)16(21)19-15/h3-9,15,18H,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyBOJFETQWYYHJKX-HNNXBMFYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
3-chloro-4-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 6929827
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
3-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 2741418
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 865092
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171197440
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one (CID 6924605) is (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one is CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)c(Cl)c1.
What is the InChIKey of (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BOJFETQWYYHJKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20(2)10-7-8-11(13(17)9-10)15-18-14-6-4-3-5-12(14)16(21)19-15/h3-9,15,18H,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 301.78 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 6924605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).