8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde

C20H18ClNO3 — CID 174405467

IUPAC8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde
SMILESO=CC1C=C(N2CCOCC2)Oc2c(-c3ccccc3Cl)cccc21
InChIInChI=1S/C20H18ClNO3/c21-18-7-2-1-4-16(18)17-6-3-5-15-14(13-23)12-19(25-20(15)17)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2
InChIKeyCSJKSUKBHITGNI-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.86
Rot. Bonds3

About 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde

8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde (PubChem CID 174405467) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde
PubChem CID174405467
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde
SMILESO=CC1C=C(N2CCOCC2)Oc2c(-c3ccccc3Cl)cccc21
InChIInChI=1S/C20H18ClNO3/c21-18-7-2-1-4-16(18)17-6-3-5-15-14(13-23)12-19(25-20(15)17)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2
InChIKeyCSJKSUKBHITGNI-UHFFFAOYSA-N
XLogP3.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
CID 169334108
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
3-chloro-2-morpholin-4-ylaniline
CID 952393
2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione
CID 67812607
9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
CID 169470801
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
CID 78766659
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 987252

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde?
The IUPAC name of 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde (CID 174405467) is 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde?
The canonical SMILES for 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde is O=CC1C=C(N2CCOCC2)Oc2c(-c3ccccc3Cl)cccc21.
What is the InChIKey of 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde?
The InChIKey is CSJKSUKBHITGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-18-7-2-1-4-16(18)17-6-3-5-15-14(13-23)12-19(25-20(15)17)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2.
What are the key properties of 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde?
8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde has a molecular weight of 355.82 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174405467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).