5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C21H19ClN2O3 — CID 71299353

IUPAC5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC12
InChIInChI=1S/C21H19ClN2O3/c1-12-2-7-15-16-11-18(25)24(9-8-13-3-5-14(22)6-4-13)21(26)19(16)20(23)27-17(15)10-12/h2-7,10,16H,8-9,11,23H2,1H3
InChIKeyUSWWYYQVHADSRE-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.30
Rot. Bonds3

About 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299353) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299353
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC12
InChIInChI=1S/C21H19ClN2O3/c1-12-2-7-15-16-11-18(25)24(9-8-13-3-5-14(22)6-4-13)21(26)19(16)20(23)27-17(15)10-12/h2-7,10,16H,8-9,11,23H2,1H3
InChIKeyUSWWYYQVHADSRE-UHFFFAOYSA-N
XLogP3.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
5-Amino-8-[(4-chlorophenyl)methoxy]-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145965652
5-amino-3-(4-chlorophenethyl)-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299378
5-amino-3-(2,4-dichlorophenethyl)-8-methyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299352
5-amino-8-methyl-3-(naphthalen-1-ylmethyl)-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299354
5-amino-3-(3-(dimethylamino)propyl)-8-methyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299357
5-amino-3-(2-methoxyethyl)-8-methyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299362
5-amino-8-methyl-3-(prop-2-ynyl)-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299363
5-Amino-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145964778
5-Amino-8-[(4-chlorophenyl)methoxy]-3-prop-2-enyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145964964
5-Amino-3-[2-(4-chlorophenyl)ethyl]-8-[(4-chlorophenyl)methoxy]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145967417
5-Amino-8-[(4-chlorophenyl)methoxy]-3-(2-ethoxyethyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145972512

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299353) is 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC12.
What is the InChIKey of 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is USWWYYQVHADSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-12-2-7-15-16-11-18(25)24(9-8-13-3-5-14(22)6-4-13)21(26)19(16)20(23)27-17(15)10-12/h2-7,10,16H,8-9,11,23H2,1H3.
What are the key properties of 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 382.85 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).