(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine

C19H18ClN3O — CID 159619317

IUPAC(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
SMILESClc1ccc2ncnc(Cc3ccc([C@H]4CNCCO4)cc3)c2c1
InChIInChI=1S/C19H18ClN3O/c20-15-5-6-17-16(10-15)18(23-12-22-17)9-13-1-3-14(4-2-13)19-11-21-7-8-24-19/h1-6,10,12,19,21H,7-9,11H2/t19-/m1/s1
InChIKeyMNRPYQWRNNYUJK-LJQANCHMSA-N
MW339.83 g/mol
LogP3.53
Rot. Bonds3

About (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine

(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine (PubChem CID 159619317) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
PubChem CID159619317
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
SMILESClc1ccc2ncnc(Cc3ccc([C@H]4CNCCO4)cc3)c2c1
InChIInChI=1S/C19H18ClN3O/c20-15-5-6-17-16(10-15)18(23-12-22-17)9-13-1-3-14(4-2-13)19-11-21-7-8-24-19/h1-6,10,12,19,21H,7-9,11H2/t19-/m1/s1
InChIKeyMNRPYQWRNNYUJK-LJQANCHMSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine 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

(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
2-(6-chloroquinolin-3-yl)-1,4-oxazepane
CID 82666527
2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
CID 157346980
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129
(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
CID 175592769
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine (CID 159619317) is (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine is Clc1ccc2ncnc(Cc3ccc([C@H]4CNCCO4)cc3)c2c1.
What is the InChIKey of (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine?
The InChIKey is MNRPYQWRNNYUJK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-5-6-17-16(10-15)18(23-12-22-17)9-13-1-3-14(4-2-13)19-11-21-7-8-24-19/h1-6,10,12,19,21H,7-9,11H2/t19-/m1/s1.
What are the key properties of (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine?
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine has a molecular weight of 339.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 159619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).