2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

C20H20ClN3O3 — CID 24855235

IUPAC2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyQFABJLGPZFVSDM-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine

2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (PubChem CID 24855235) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
PubChem CID24855235
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyQFABJLGPZFVSDM-UHFFFAOYSA-N
XLogP3.88
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
CID 24855466
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 86808286
(2R)-2-(4-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 94032612
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
CID 86889499
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133493384
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
4-(6,7-dimethoxycinnolin-4-yl)-2-(4-methoxyphenyl)morpholine
CID 24748469
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
CID 86876437

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine (CID 24855235) is 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is COc1cc2ncnc(N3CCOC(c4ccc(Cl)cc4)C3)c2cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
The InChIKey is QFABJLGPZFVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-7-8-27-19(11-24)13-3-5-14(21)6-4-13/h3-6,9-10,12,19H,7-8,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine has a molecular weight of 385.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine is sourced from PubChem (CID 24855235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).