N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

C21H20ClN3O2 — CID 75270209

IUPACN-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC2=Nc3ccccc3C(=O)C2C1
InChIInChI=1S/C21H20ClN3O2/c1-13-16(22)6-4-8-17(13)24-20(26)12-25-10-9-19-15(11-25)21(27)14-5-2-3-7-18(14)23-19/h2-8,15H,9-12H2,1H3,(H,24,26)
InChIKeySWVGQDZMDLIAJX-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.88
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (PubChem CID 75270209) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
PubChem CID75270209
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC2=Nc3ccccc3C(=O)C2C1
InChIInChI=1S/C21H20ClN3O2/c1-13-16(22)6-4-8-17(13)24-20(26)12-25-10-9-19-15(11-25)21(27)14-5-2-3-7-18(14)23-19/h2-8,15H,9-12H2,1H3,(H,24,26)
InChIKeySWVGQDZMDLIAJX-UHFFFAOYSA-N
XLogP3.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 167998258
N-(3-cyanophenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 75270219
N-(3-chloro-2-methylphenyl)-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide
CID 53033429
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 79992916

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (CID 75270209) is N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CN1CCC2=Nc3ccccc3C(=O)C2C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The InChIKey is SWVGQDZMDLIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-16(22)6-4-8-17(13)24-20(26)12-25-10-9-19-15(11-25)21(27)14-5-2-3-7-18(14)23-19/h2-8,15H,9-12H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide has a molecular weight of 381.86 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(10-oxo-1,3,4,10a-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 75270209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).