N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide

C20H19N3O4 — CID 3865539

IUPACN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C20H19N3O4/c1-2-19(24)23(10-13-4-3-5-21-9-13)11-15-6-14-7-17-18(27-12-26-17)8-16(14)22-20(15)25/h3-9H,2,10-12H2,1H3,(H,22,25)
InChIKeySBMRWWGHZRXLSK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.59
Rot. Bonds5

About N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide

N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3865539) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3865539
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C20H19N3O4/c1-2-19(24)23(10-13-4-3-5-21-9-13)11-15-6-14-7-17-18(27-12-26-17)8-16(14)22-20(15)25/h3-9H,2,10-12H2,1H3,(H,22,25)
InChIKeySBMRWWGHZRXLSK-UHFFFAOYSA-N
XLogP2.59
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 3865537
3-(4-ethoxyphenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3175616
3-[3-(dimethylamino)propyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3175631
N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
CID 1467368
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1458883
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1467384
3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138135
3-(3-chlorophenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437541
N-[(4-methylphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]acetamide
CID 3194281
2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 4896654
ethyl 3-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 1165690
ethyl 2-[5-[[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]tetrazol-1-yl]acetate
CID 1464382

Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 3865539) is N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide is CCC(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SBMRWWGHZRXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-19(24)23(10-13-4-3-5-21-9-13)11-15-6-14-7-17-18(27-12-26-17)8-16(14)22-20(15)25/h3-9H,2,10-12H2,1H3,(H,22,25).
What are the key properties of N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).