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

C22H21N3O4 — CID 5307473

IUPACN-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC
InChIInChI=1S/C22H21N3O4/c1-24-17(21(26)23-13-9-10-18(28-3)19(11-13)29-4)12-15-20(24)14-7-5-6-8-16(14)25(2)22(15)27/h5-12H,1-4H3,(H,23,26)
InChIKeyBYPNEZMKWKOBHU-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.30
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5307473) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5307473
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC
InChIInChI=1S/C22H21N3O4/c1-24-17(21(26)23-13-9-10-18(28-3)19(11-13)29-4)12-15-20(24)14-7-5-6-8-16(14)25(2)22(15)27/h5-12H,1-4H3,(H,23,26)
InChIKeyBYPNEZMKWKOBHU-UHFFFAOYSA-N
XLogP3.30
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5307473) is N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is BYPNEZMKWKOBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-24-17(21(26)23-13-9-10-18(28-3)19(11-13)29-4)12-15-20(24)14-7-5-6-8-16(14)25(2)22(15)27/h5-12H,1-4H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).