8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde

C13H12ClN3O2 — CID 170708206

IUPAC8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
SMILESO=Cc1cc(Cl)c2nc(N3CCOCC3)ncc2c1
InChIInChI=1S/C13H12ClN3O2/c14-11-6-9(8-18)5-10-7-15-13(16-12(10)11)17-1-3-19-4-2-17/h5-8H,1-4H2
InChIKeyXETCROKWWKNWTH-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.93
Rot. Bonds2

About 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde

8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde (PubChem CID 170708206) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
PubChem CID170708206
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
SMILESO=Cc1cc(Cl)c2nc(N3CCOCC3)ncc2c1
InChIInChI=1S/C13H12ClN3O2/c14-11-6-9(8-18)5-10-7-15-13(16-12(10)11)17-1-3-19-4-2-17/h5-8H,1-4H2
InChIKeyXETCROKWWKNWTH-UHFFFAOYSA-N
XLogP1.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
CID 11508758
(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
CID 146521751
2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
CID 83896605
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
2-morpholin-4-ylfuro[2,3-d]pyrimidine
CID 154261054
6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
CID 143625885
2-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154396001
4-(8-bromo-4-chloropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 141391977
4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
CID 59834313
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde?
The IUPAC name of 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde (CID 170708206) is 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde.
What is the SMILES notation for 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde?
The canonical SMILES for 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde is O=Cc1cc(Cl)c2nc(N3CCOCC3)ncc2c1.
What is the InChIKey of 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde?
The InChIKey is XETCROKWWKNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-11-6-9(8-18)5-10-7-15-13(16-12(10)11)17-1-3-19-4-2-17/h5-8H,1-4H2.
What are the key properties of 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde?
8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde has a molecular weight of 277.71 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde is sourced from PubChem (CID 170708206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).