4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine

C17H21ClN4O — CID 53467339

IUPAC4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine
SMILESClc1nc(N2CCCCC2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C17H21ClN4O/c18-17-19-15-12-13(21-8-10-23-11-9-21)4-5-14(15)16(20-17)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11H2
InChIKeyMQGSROFBVYHWQI-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.11
Rot. Bonds2

About 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine

4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine (PubChem CID 53467339) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine
PubChem CID53467339
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine
SMILESClc1nc(N2CCCCC2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C17H21ClN4O/c18-17-19-15-12-13(21-8-10-23-11-9-21)4-5-14(15)16(20-17)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11H2
InChIKeyMQGSROFBVYHWQI-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine?
The IUPAC name of 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine (CID 53467339) is 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine?
The canonical SMILES for 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine is Clc1nc(N2CCCCC2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine?
The InChIKey is MQGSROFBVYHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-17-19-15-12-13(21-8-10-23-11-9-21)4-5-14(15)16(20-17)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11H2.
What are the key properties of 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine?
4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine has a molecular weight of 332.84 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-piperidin-1-ylquinazolin-7-yl)morpholine is sourced from PubChem (CID 53467339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).