(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone

C27H18ClN3O — CID 23118671

IUPAC(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
SMILESO=C(c1cccnc1Cl)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H18ClN3O/c28-26-21(12-7-15-29-26)27(32)31-24-14-6-4-10-19(24)17-8-1-2-11-20(17)25(31)22-16-30-23-13-5-3-9-18(22)23/h1-16,25,30H
InChIKeyWAPHMDDIAPOFGO-UHFFFAOYSA-N
MW435.91 g/mol
LogP6.63
Rot. Bonds2

About (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone

(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone (PubChem CID 23118671) has the molecular formula C27H18ClN3O and a molecular weight of 435.91 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
PubChem CID23118671
Molecular FormulaC27H18ClN3O
Molecular Weight435.91 g/mol
Exact Mass435.11
IUPAC Name(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone
SMILESO=C(c1cccnc1Cl)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H18ClN3O/c28-26-21(12-7-15-29-26)27(32)31-24-14-6-4-10-19(24)17-8-1-2-11-20(17)25(31)22-16-30-23-13-5-3-9-18(22)23/h1-16,25,30H
InChIKeyWAPHMDDIAPOFGO-UHFFFAOYSA-N
XLogP6.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone 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

Indoramin
CID 33625
Indoramin hydrochloride
CID 38102
Tryptamide
CID 65768
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-3-(1H-indol-3-yl)propionamide
CID 11156598
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)propionamide
CID 11249115
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide
CID 11283475
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190855
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191039
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
Parvine
CID 320217
6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 11562215
6-[(8-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 11606144

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone (CID 23118671) is (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone is O=C(c1cccnc1Cl)N1c2ccccc2-c2ccccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
The InChIKey is WAPHMDDIAPOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O/c28-26-21(12-7-15-29-26)27(32)31-24-14-6-4-10-19(24)17-8-1-2-11-20(17)25(31)22-16-30-23-13-5-3-9-18(22)23/h1-16,25,30H.
What are the key properties of (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone?
(2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone has a molecular weight of 435.91 g/mol, XLogP of 6.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]methanone is sourced from PubChem (CID 23118671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).