8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

C28H38N4O4 — CID 71192334

IUPAC8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCN1CCN(c2cc(C(C)O)cc3c2OC(C(=O)Nc2ccc(N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C28H38N4O4/c1-3-30-10-12-32(13-11-30)25-19-22(20(2)33)18-21-4-9-26(36-27(21)25)28(34)29-23-5-7-24(8-6-23)31-14-16-35-17-15-31/h5-8,18-20,26,33H,3-4,9-17H2,1-2H3,(H,29,34)
InChIKeyHLCBOGVQRPWQTP-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.05
Rot. Bonds6

About 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 71192334) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID71192334
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCCN1CCN(c2cc(C(C)O)cc3c2OC(C(=O)Nc2ccc(N4CCOCC4)cc2)CC3)CC1
InChIInChI=1S/C28H38N4O4/c1-3-30-10-12-32(13-11-30)25-19-22(20(2)33)18-21-4-9-26(36-27(21)25)28(34)29-23-5-7-24(8-6-23)31-14-16-35-17-15-31/h5-8,18-20,26,33H,3-4,9-17H2,1-2H3,(H,29,34)
InChIKeyHLCBOGVQRPWQTP-UHFFFAOYSA-N
XLogP3.05
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide 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

6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-8-[4-(2,2,2-tricyanoethyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 89357090
6-(1-hydroxyethyl)-8-(4-methylpiperazin-1-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 71193263
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143452423
(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
6-(1-hydroxyethyl)-N-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 71193510
N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91461379
trans-(1S,2S)-2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981803
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[4-[(1-amino-2-methoxyethyl)carbamoyl]phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163937992
5-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55415310
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 18475701
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 71192334) is 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is CCN1CCN(c2cc(C(C)O)cc3c2OC(C(=O)Nc2ccc(N4CCOCC4)cc2)CC3)CC1.
What is the InChIKey of 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is HLCBOGVQRPWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-3-30-10-12-32(13-11-30)25-19-22(20(2)33)18-21-4-9-26(36-27(21)25)28(34)29-23-5-7-24(8-6-23)31-14-16-35-17-15-31/h5-8,18-20,26,33H,3-4,9-17H2,1-2H3,(H,29,34).
What are the key properties of 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 71192334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).