N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide

C31H23N3O — CID 150809020

IUPACN-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2)c2cc3ccccc3nc12)c1nccc2ccccc12
InChIInChI=1S/C31H23N3O/c1-2-34(30-25-14-8-6-12-22(25)18-19-32-30)31(35)26-17-16-24(21-10-4-3-5-11-21)27-20-23-13-7-9-15-28(23)33-29(26)27/h3-20H,2H2,1H3
InChIKeyKHMNIDSQPUUKIE-UHFFFAOYSA-N
MW453.55 g/mol
LogP7.27
Rot. Bonds4

About N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide

N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide (PubChem CID 150809020) has the molecular formula C31H23N3O and a molecular weight of 453.55 g/mol. Its IUPAC name is N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide
PubChem CID150809020
Molecular FormulaC31H23N3O
Molecular Weight453.55 g/mol
Exact Mass453.18
IUPAC NameN-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2)c2cc3ccccc3nc12)c1nccc2ccccc12
InChIInChI=1S/C31H23N3O/c1-2-34(30-25-14-8-6-12-22(25)18-19-32-30)31(35)26-17-16-24(21-10-4-3-5-11-21)27-20-23-13-7-9-15-28(23)33-29(26)27/h3-20H,2H2,1H3
InChIKeyKHMNIDSQPUUKIE-UHFFFAOYSA-N
XLogP7.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-naphthalen-2-ylquinoline-5-carboxamide
CID 60607375
N,N-diethyl-3-phenylquinoline-2-carboxamide
CID 24845781
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene
CID 154211959
N,N-dimethylisoquinolin-1-amine
CID 10313317
6-ethyl-N-(2-hydroxyethyl)-N-phenylquinoline-8-carboxamide
CID 175792354
10-phenyl-5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene
CID 141282309
1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-di(isoquinolin-1-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;1-N,8-N-diphenyl-1-N,8-N-di(quinolin-2-yl)pyrene-1,8-diamine;4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine;ethane
CID 159936889
N,N-diethyl-9-phenoxyacridine-4-carboxamide
CID 11610386
1-acridin-1-ylbutan-1-one
CID 174652191
N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
CID 59390724
N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
CID 10854189

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide?
The IUPAC name of N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide (CID 150809020) is N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide is CCN(C(=O)c1ccc(-c2ccccc2)c2cc3ccccc3nc12)c1nccc2ccccc12.
What is the InChIKey of N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide?
The InChIKey is KHMNIDSQPUUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O/c1-2-34(30-25-14-8-6-12-22(25)18-19-32-30)31(35)26-17-16-24(21-10-4-3-5-11-21)27-20-23-13-7-9-15-28(23)33-29(26)27/h3-20H,2H2,1H3.
What are the key properties of N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide?
N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-isoquinolin-1-yl-1-phenylacridine-4-carboxamide is sourced from PubChem (CID 150809020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).