4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide

C16H14N4O2 — CID 141180641

IUPAC4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
SMILESCNC(=O)c1nc(Oc2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O2/c1-18-15(21)14-19-13-5-3-2-4-12(13)16(20-14)22-11-8-6-10(17)7-9-11/h2-9H,17H2,1H3,(H,18,21)
InChIKeyJPXYXLNGDRMUDB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.36
Rot. Bonds3

About 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide

4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide (PubChem CID 141180641) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
PubChem CID141180641
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
SMILESCNC(=O)c1nc(Oc2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N4O2/c1-18-15(21)14-19-13-5-3-2-4-12(13)16(20-14)22-11-8-6-10(17)7-9-11/h2-9H,17H2,1H3,(H,18,21)
InChIKeyJPXYXLNGDRMUDB-UHFFFAOYSA-N
XLogP2.36
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide?
The IUPAC name of 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide (CID 141180641) is 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide is CNC(=O)c1nc(Oc2ccc(N)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide?
The InChIKey is JPXYXLNGDRMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-18-15(21)14-19-13-5-3-2-4-12(13)16(20-14)22-11-8-6-10(17)7-9-11/h2-9H,17H2,1H3,(H,18,21).
What are the key properties of 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide?
4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide is sourced from PubChem (CID 141180641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).