4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid

C18H18FN5O3 — CID 10067799

IUPAC4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
SMILESNC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)C1
InChIInChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)6-24(15)9-1-2-9)13-14(22-7-21-13)16(12)23-4-3-8(20)5-23/h6-9H,1-5,20H2,(H,21,22)(H,26,27)
InChIKeyHFYCGVJVYCHYRE-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.59
Rot. Bonds3

About 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid

4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 10067799) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
PubChem CID10067799
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
SMILESNC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)C1
InChIInChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)6-24(15)9-1-2-9)13-14(22-7-21-13)16(12)23-4-3-8(20)5-23/h6-9H,1-5,20H2,(H,21,22)(H,26,27)
InChIKeyHFYCGVJVYCHYRE-UHFFFAOYSA-N
XLogP1.59
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid (CID 10067799) is 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid is NC1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is HFYCGVJVYCHYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)6-24(15)9-1-2-9)13-14(22-7-21-13)16(12)23-4-3-8(20)5-23/h6-9H,1-5,20H2,(H,21,22)(H,26,27).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 371.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 10067799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).