(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate

C30H28N6O2 — CID 118322124

IUPAC(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate
SMILESCCN1CCN(c2ccc(NC(=O)Oc3ccc(-c4cncc5ccccc45)c4nccnc34)cc2)CC1
InChIInChI=1S/C30H28N6O2/c1-2-35-15-17-36(18-16-35)23-9-7-22(8-10-23)34-30(37)38-27-12-11-25(28-29(27)33-14-13-32-28)26-20-31-19-21-5-3-4-6-24(21)26/h3-14,19-20H,2,15-18H2,1H3,(H,34,37)
InChIKeyMNZDEDBOBXOICK-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.60
Rot. Bonds5

About (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate

(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate (PubChem CID 118322124) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate
PubChem CID118322124
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate
SMILESCCN1CCN(c2ccc(NC(=O)Oc3ccc(-c4cncc5ccccc45)c4nccnc34)cc2)CC1
InChIInChI=1S/C30H28N6O2/c1-2-35-15-17-36(18-16-35)23-9-7-22(8-10-23)34-30(37)38-27-12-11-25(28-29(27)33-14-13-32-28)26-20-31-19-21-5-3-4-6-24(21)26/h3-14,19-20H,2,15-18H2,1H3,(H,34,37)
InChIKeyMNZDEDBOBXOICK-UHFFFAOYSA-N
XLogP5.60
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 44515355
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
8-isoquinolin-4-yl-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 44515976
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
4-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273397
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704

Frequently Asked Questions

What is the IUPAC name of (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate?
The IUPAC name of (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate (CID 118322124) is (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate.
What is the SMILES notation for (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate?
The canonical SMILES for (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate is CCN1CCN(c2ccc(NC(=O)Oc3ccc(-c4cncc5ccccc45)c4nccnc34)cc2)CC1.
What is the InChIKey of (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate?
The InChIKey is MNZDEDBOBXOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-2-35-15-17-36(18-16-35)23-9-7-22(8-10-23)34-30(37)38-27-12-11-25(28-29(27)33-14-13-32-28)26-20-31-19-21-5-3-4-6-24(21)26/h3-14,19-20H,2,15-18H2,1H3,(H,34,37).
What are the key properties of (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate?
(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 504.59 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 118322124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).