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

C18H21N3O3 — CID 5308238

IUPACN-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C18H21N3O3/c1-20-15(17(22)19-9-6-10-24-3)11-13-16(20)12-7-4-5-8-14(12)21(2)18(13)23/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22)
InChIKeyLEMVBQTYDWNOQX-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.80
Rot. Bonds5

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

N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5308238) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5308238
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
InChIInChI=1S/C18H21N3O3/c1-20-15(17(22)19-9-6-10-24-3)11-13-16(20)12-7-4-5-8-14(12)21(2)18(13)23/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22)
InChIKeyLEMVBQTYDWNOQX-UHFFFAOYSA-N
XLogP1.80
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5308238) is N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C.
What is the InChIKey of N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is LEMVBQTYDWNOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20-15(17(22)19-9-6-10-24-3)11-13-16(20)12-7-4-5-8-14(12)21(2)18(13)23/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).