6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one

C18H17ClN4O3 — CID 167813656

IUPAC6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(-c3ccc(N4CCOCC4)nc3)[nH]c(=O)c2cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-25-15-9-14-12(8-13(15)19)18(24)22-17(21-14)11-2-3-16(20-10-11)23-4-6-26-7-5-23/h2-3,8-10H,4-7H2,1H3,(H,21,22,24)
InChIKeyBZWVBEQQGPPUBH-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one

6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one (PubChem CID 167813656) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
PubChem CID167813656
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(-c3ccc(N4CCOCC4)nc3)[nH]c(=O)c2cc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-25-15-9-14-12(8-13(15)19)18(24)22-17(21-14)11-2-3-16(20-10-11)23-4-6-26-7-5-23/h2-3,8-10H,4-7H2,1H3,(H,21,22,24)
InChIKeyBZWVBEQQGPPUBH-UHFFFAOYSA-N
XLogP2.48
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one (CID 167813656) is 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one is COc1cc2nc(-c3ccc(N4CCOCC4)nc3)[nH]c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one?
The InChIKey is BZWVBEQQGPPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-25-15-9-14-12(8-13(15)19)18(24)22-17(21-14)11-2-3-16(20-10-11)23-4-6-26-7-5-23/h2-3,8-10H,4-7H2,1H3,(H,21,22,24).
What are the key properties of 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one?
6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one has a molecular weight of 372.81 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one is sourced from PubChem (CID 167813656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).