N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C20H15N3O4 — CID 20857409

IUPACN-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C20H15N3O4/c1-23-15(20(25)21-11-6-7-16-17(8-11)27-10-26-16)9-13-18(23)12-4-2-3-5-14(12)22-19(13)24/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyFYDDNMCFSJTOBH-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.00
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 20857409) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID20857409
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C20H15N3O4/c1-23-15(20(25)21-11-6-7-16-17(8-11)27-10-26-16)9-13-18(23)12-4-2-3-5-14(12)22-19(13)24/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyFYDDNMCFSJTOBH-UHFFFAOYSA-N
XLogP3.00
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 20857409) is N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)[nH]c3ccccc3c21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is FYDDNMCFSJTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-23-15(20(25)21-11-6-7-16-17(8-11)27-10-26-16)9-13-18(23)12-4-2-3-5-14(12)22-19(13)24/h2-9H,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).