4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine

C16H14ClN5O — CID 86665759

IUPAC4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2ccc(-c3cncnc3)cc2n1
InChIInChI=1S/C16H14ClN5O/c17-16-20-14-7-11(12-8-18-10-19-9-12)1-2-13(14)15(21-16)22-3-5-23-6-4-22/h1-2,7-10H,3-6H2
InChIKeyZDHCAJFUGKTUSX-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.58
Rot. Bonds2

About 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine

4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine (PubChem CID 86665759) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
PubChem CID86665759
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2ccc(-c3cncnc3)cc2n1
InChIInChI=1S/C16H14ClN5O/c17-16-20-14-7-11(12-8-18-10-19-9-12)1-2-13(14)15(21-16)22-3-5-23-6-4-22/h1-2,7-10H,3-6H2
InChIKeyZDHCAJFUGKTUSX-UHFFFAOYSA-N
XLogP2.58
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine (CID 86665759) is 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine is Clc1nc(N2CCOCC2)c2ccc(-c3cncnc3)cc2n1.
What is the InChIKey of 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine?
The InChIKey is ZDHCAJFUGKTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-16-20-14-7-11(12-8-18-10-19-9-12)1-2-13(14)15(21-16)22-3-5-23-6-4-22/h1-2,7-10H,3-6H2.
What are the key properties of 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine?
4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine has a molecular weight of 327.78 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-pyrimidin-5-ylquinazolin-4-yl)morpholine is sourced from PubChem (CID 86665759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).