4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine

C14H15ClN4O4 — CID 122140964

IUPAC4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCO1
InChIInChI=1S/C14H15ClN4O4/c1-22-7-10-6-18(2-3-23-10)14-11-4-9(19(20)21)5-12(15)13(11)16-8-17-14/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyRFCWWNRKCZLBCG-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.04
Rot. Bonds4

About 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine

4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine (PubChem CID 122140964) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine
PubChem CID122140964
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCO1
InChIInChI=1S/C14H15ClN4O4/c1-22-7-10-6-18(2-3-23-10)14-11-4-9(19(20)21)5-12(15)13(11)16-8-17-14/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyRFCWWNRKCZLBCG-UHFFFAOYSA-N
XLogP2.04
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine?
The IUPAC name of 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine (CID 122140964) is 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine is COCC1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCO1.
What is the InChIKey of 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine?
The InChIKey is RFCWWNRKCZLBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-22-7-10-6-18(2-3-23-10)14-11-4-9(19(20)21)5-12(15)13(11)16-8-17-14/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine?
4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine has a molecular weight of 338.75 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-6-nitroquinazolin-4-yl)-2-(methoxymethyl)morpholine is sourced from PubChem (CID 122140964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).