N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C21H17N3O4 — CID 5309222

IUPACN-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C21H17N3O4/c1-23-16(20(25)22-12-7-8-17-18(9-12)28-11-27-17)10-14-19(23)13-5-3-4-6-15(13)24(2)21(14)26/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyBQHBMBRIUAUPKU-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.01
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5309222) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5309222
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C21H17N3O4/c1-23-16(20(25)22-12-7-8-17-18(9-12)28-11-27-17)10-14-19(23)13-5-3-4-6-15(13)24(2)21(14)26/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyBQHBMBRIUAUPKU-UHFFFAOYSA-N
XLogP3.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-Diethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 16008892
N-(1,3-benzodioxol-5-yl)-5-methoxy-1H-indole-2-carboxamide
CID 2742887
N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide
CID 2823673
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117369
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 11123392
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-ethylpicolinamide
CID 11604883
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-(2-methoxyethyl)picolinamide
CID 11605467
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-cyclopropylpicolinamide
CID 11634109
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-methylpicolinamide
CID 11704845
4-((2-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)picolinamide
CID 44442388
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-(2-(diethylamino)ethyl)picolinamide
CID 44442389
4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)-N-(3-(diethylamino)propyl)picolinamide
CID 44442390

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5309222) is N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is BQHBMBRIUAUPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-23-16(20(25)22-12-7-8-17-18(9-12)28-11-27-17)10-14-19(23)13-5-3-4-6-15(13)24(2)21(14)26/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5309222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).