4-quinazolin-2-ylmorpholine-2-carboximidamide

C13H15N5O — CID 114788809

IUPAC4-quinazolin-2-ylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncc3ccccc3n2)CCO1
InChIInChI=1S/C13H15N5O/c14-12(15)11-8-18(5-6-19-11)13-16-7-9-3-1-2-4-10(9)17-13/h1-4,7,11H,5-6,8H2,(H3,14,15)
InChIKeyYTSHWUZNAOPGOW-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.77
Rot. Bonds2

About 4-quinazolin-2-ylmorpholine-2-carboximidamide

4-quinazolin-2-ylmorpholine-2-carboximidamide (PubChem CID 114788809) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-quinazolin-2-ylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-quinazolin-2-ylmorpholine-2-carboximidamide
PubChem CID114788809
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-quinazolin-2-ylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncc3ccccc3n2)CCO1
InChIInChI=1S/C13H15N5O/c14-12(15)11-8-18(5-6-19-11)13-16-7-9-3-1-2-4-10(9)17-13/h1-4,7,11H,5-6,8H2,(H3,14,15)
InChIKeyYTSHWUZNAOPGOW-UHFFFAOYSA-N
XLogP0.77
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-2-ylmorpholine-2-carboximidamide
CID 79676161
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
CID 79676627
4-(6-ethoxy-2-pyridinyl)morpholine-2-carboximidamide
CID 79676825
4-quinolin-2-ylmorpholine-2-carboxamide
CID 133278543
4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
CID 79727211
4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
CID 79675597
4-(1-methylimidazo[4,5-c]pyridin-4-yl)morpholine-2-carboximidamide
CID 103385326
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
(1-quinazolin-2-ylazetidin-3-yl)methanamine
CID 114789950
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321

Frequently Asked Questions

What is the IUPAC name of 4-quinazolin-2-ylmorpholine-2-carboximidamide?
The IUPAC name of 4-quinazolin-2-ylmorpholine-2-carboximidamide (CID 114788809) is 4-quinazolin-2-ylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-quinazolin-2-ylmorpholine-2-carboximidamide?
The canonical SMILES for 4-quinazolin-2-ylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2ncc3ccccc3n2)CCO1.
What is the InChIKey of 4-quinazolin-2-ylmorpholine-2-carboximidamide?
The InChIKey is YTSHWUZNAOPGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-12(15)11-8-18(5-6-19-11)13-16-7-9-3-1-2-4-10(9)17-13/h1-4,7,11H,5-6,8H2,(H3,14,15).
What are the key properties of 4-quinazolin-2-ylmorpholine-2-carboximidamide?
4-quinazolin-2-ylmorpholine-2-carboximidamide has a molecular weight of 257.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinazolin-2-ylmorpholine-2-carboximidamide is sourced from PubChem (CID 114788809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).