N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline

C49H35Cl6N11O2 — CID 158958815

IUPACN-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline
SMILESClc1cnc2ccc(Cc3nc4c(Cl)nccc4[nH]3)cc2c1.Nc1c(CC(=O)Cc2ccc3ncc(Cl)cc3c2)ccnc1Cl.Nc1ccnc(Cl)c1NC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C17H13Cl2N3O.C16H12Cl2N4O.C16H10Cl2N4/c18-13-7-12-5-10(1-2-15(12)22-9-13)6-14(23)8-11-3-4-21-17(19)16(11)20;17-11-7-10-5-9(1-2-13(10)21-8-11)6-14(23)22-15-12(19)3-4-20-16(15)18;17-11-7-10-5-9(1-2-12(10)20-8-11)6-14-21-13-3-4-19-16(18)15(13)22-14/h1-5,7,9H,6,8,20H2;1-5,7-8H,6H2,(H2,19,20)(H,22,23);1-5,7-8H,6H2,(H,21,22)
InChIKeyJMIWNSNSAPEXJW-UHFFFAOYSA-N
MW1022.61 g/mol
LogP11.98
Rot. Bonds9

About N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline

N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline (PubChem CID 158958815) has the molecular formula C49H35Cl6N11O2 and a molecular weight of 1022.61 g/mol. Its IUPAC name is N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline.

Molecular Properties

Compound NameN-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline
PubChem CID158958815
Molecular FormulaC49H35Cl6N11O2
Molecular Weight1022.61 g/mol
Exact Mass1019.11
IUPAC NameN-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline
SMILESClc1cnc2ccc(Cc3nc4c(Cl)nccc4[nH]3)cc2c1.Nc1c(CC(=O)Cc2ccc3ncc(Cl)cc3c2)ccnc1Cl.Nc1ccnc(Cl)c1NC(=O)Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C17H13Cl2N3O.C16H12Cl2N4O.C16H10Cl2N4/c18-13-7-12-5-10(1-2-15(12)22-9-13)6-14(23)8-11-3-4-21-17(19)16(11)20;17-11-7-10-5-9(1-2-13(10)21-8-11)6-14(23)22-15-12(19)3-4-20-16(15)18;17-11-7-10-5-9(1-2-12(10)20-8-11)6-14-21-13-3-4-19-16(18)15(13)22-14/h1-5,7,9H,6,8,20H2;1-5,7-8H,6H2,(H2,19,20)(H,22,23);1-5,7-8H,6H2,(H,21,22)
InChIKeyJMIWNSNSAPEXJW-UHFFFAOYSA-N
XLogP11.98
TPSA204.23 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001022.61
LogP ≤ 511.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline 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

3-[4-[(3S)-3-aminopiperidin-1-yl]-3-[(3-chlorophenyl)methylamino]quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 135145460
US10023557, Example 38
CID 118665363
US10023557, Example 61
CID 118665370
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665434
US10023557, Example 158
CID 124181951
US10023557, Example 310
CID 124182447
US10023557, Example 189
CID 124182537
US10023557, Example 191
CID 124182560
US10023557, Example 192
CID 124182568
US10023557, Example 281
CID 124183144
US10023557, Example 294
CID 124182388
US10023557, Example 269
CID 124182404

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline?
The IUPAC name of N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline (CID 158958815) is N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline.
What is the SMILES notation for N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline?
The canonical SMILES for N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline is Clc1cnc2ccc(Cc3nc4c(Cl)nccc4[nH]3)cc2c1.Nc1c(CC(=O)Cc2ccc3ncc(Cl)cc3c2)ccnc1Cl.Nc1ccnc(Cl)c1NC(=O)Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline?
The InChIKey is JMIWNSNSAPEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O.C16H12Cl2N4O.C16H10Cl2N4/c18-13-7-12-5-10(1-2-15(12)22-9-13)6-14(23)8-11-3-4-21-17(19)16(11)20;17-11-7-10-5-9(1-2-13(10)21-8-11)6-14(23)22-15-12(19)3-4-20-16(15)18;17-11-7-10-5-9(1-2-12(10)20-8-11)6-14-21-13-3-4-19-16(18)15(13)22-14/h1-5,7,9H,6,8,20H2;1-5,7-8H,6H2,(H2,19,20)(H,22,23);1-5,7-8H,6H2,(H,21,22).
What are the key properties of N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline?
N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline has a molecular weight of 1022.61 g/mol, XLogP of 11.98, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-3-pyridinyl)-2-(3-chloroquinolin-6-yl)acetamide;1-(3-amino-2-chloro-4-pyridinyl)-3-(3-chloroquinolin-6-yl)propan-2-one;3-chloro-6-[(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)methyl]quinoline is sourced from PubChem (CID 158958815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).