[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

C20H21ClN2O4 — CID 175253066

IUPAC[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(-c3ccc(N4CCOCC4)c(Cl)c3)ccc21
InChIInChI=1S/C20H21ClN2O4/c21-16-11-13(2-4-17(16)23-6-9-25-10-7-23)14-1-3-15-18(27-20(22)24)5-8-26-19(15)12-14/h1-4,11-12,18H,5-10H2,(H2,22,24)
InChIKeyCUMYSFQHMHRLQD-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.76
Rot. Bonds3

About [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175253066) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175253066
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(-c3ccc(N4CCOCC4)c(Cl)c3)ccc21
InChIInChI=1S/C20H21ClN2O4/c21-16-11-13(2-4-17(16)23-6-9-25-10-7-23)14-1-3-15-18(27-20(22)24)5-8-26-19(15)12-14/h1-4,11-12,18H,5-10H2,(H2,22,24)
InChIKeyCUMYSFQHMHRLQD-UHFFFAOYSA-N
XLogP3.76
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253063
[4-(3-formyl-4-morpholin-4-ylphenyl)phenyl]methyl carbamate
CID 174664478
[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride
CID 70661954
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ylphenyl]ethanone
CID 72938581
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 46607103
N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 91677749

Frequently Asked Questions

What is the IUPAC name of [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175253066) is [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is NC(=O)OC1CCOc2cc(-c3ccc(N4CCOCC4)c(Cl)c3)ccc21.
What is the InChIKey of [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is CUMYSFQHMHRLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-16-11-13(2-4-17(16)23-6-9-25-10-7-23)14-1-3-15-18(27-20(22)24)5-8-26-19(15)12-14/h1-4,11-12,18H,5-10H2,(H2,22,24).
What are the key properties of [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 388.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175253066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).