5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid

C17H19N3O3 — CID 4908053

IUPAC5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)CCCC(=O)O)CC3
InChIInChI=1S/C17H19N3O3/c1-11-5-6-12-10-13-7-8-20(17(13)18-14(12)9-11)19-15(21)3-2-4-16(22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyVGDFHGMXMWFONP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.19
Rot. Bonds5

About 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid

5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid (PubChem CID 4908053) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid
PubChem CID4908053
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)CCCC(=O)O)CC3
InChIInChI=1S/C17H19N3O3/c1-11-5-6-12-10-13-7-8-20(17(13)18-14(12)9-11)19-15(21)3-2-4-16(22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,21)(H,22,23)
InChIKeyVGDFHGMXMWFONP-UHFFFAOYSA-N
XLogP2.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid (CID 4908053) is 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid is Cc1ccc2cc3c(nc2c1)N(NC(=O)CCCC(=O)O)CC3.
What is the InChIKey of 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid?
The InChIKey is VGDFHGMXMWFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-5-6-12-10-13-7-8-20(17(13)18-14(12)9-11)19-15(21)3-2-4-16(22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid?
5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 4908053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).