(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone

C23H20ClN3O4 — CID 3800574

IUPAC(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C23H20ClN3O4/c24-17-5-6-21-15(10-17)9-16(12-30-21)23(28)27-7-8-29-18(11-27)13-31-22-19-3-1-2-4-20(19)25-14-26-22/h1-6,9-10,14,18H,7-8,11-13H2
InChIKeyPOKBOWVDHSQQOU-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.37
Rot. Bonds4

About (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone

(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 3800574) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
PubChem CID3800574
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COc2ncnc3ccccc23)C1
InChIInChI=1S/C23H20ClN3O4/c24-17-5-6-21-15(10-17)9-16(12-30-21)23(28)27-7-8-29-18(11-27)13-31-22-19-3-1-2-4-20(19)25-14-26-22/h1-6,9-10,14,18H,7-8,11-13H2
InChIKeyPOKBOWVDHSQQOU-UHFFFAOYSA-N
XLogP3.37
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone (CID 3800574) is (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC(COc2ncnc3ccccc23)C1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is POKBOWVDHSQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c24-17-5-6-21-15(10-17)9-16(12-30-21)23(28)27-7-8-29-18(11-27)13-31-22-19-3-1-2-4-20(19)25-14-26-22/h1-6,9-10,14,18H,7-8,11-13H2.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 437.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 3800574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).