(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine

C20H20ClN3O — CID 1181449

IUPAC(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-17-5-3-4-6-18(17)22-19(23-20)15-7-9-16(21)10-8-15/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIPLAPXVSBNNRIV-ZIAGYGMSSA-N
MW353.85 g/mol
LogP4.56
Rot. Bonds2

About (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine

(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine (PubChem CID 1181449) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
PubChem CID1181449
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-17-5-3-4-6-18(17)22-19(23-20)15-7-9-16(21)10-8-15/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIPLAPXVSBNNRIV-ZIAGYGMSSA-N
XLogP4.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
CID 20963273
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 2005114
4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
CID 6415168
(4-chlorophenyl)-[4-[(3R,4R)-4-hydroxy-1-(2-phenylquinazolin-4-yl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 58451026
2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
CID 6414356
2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 23740947
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine (CID 1181449) is (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is IPLAPXVSBNNRIV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-13-11-24(12-14(2)25-13)20-17-5-3-4-6-18(17)22-19(23-20)15-7-9-16(21)10-8-15/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine?
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 353.85 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 1181449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).