5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C17H14ClFN4O2 — CID 89195382

IUPAC5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C1Nc2ccc(F)cc2CC1NC(=O)C1Cc2cc(Cl)ncc2N1
InChIInChI=1S/C17H14ClFN4O2/c18-15-6-9-5-12(21-14(9)7-20-15)16(24)23-13-4-8-3-10(19)1-2-11(8)22-17(13)25/h1-3,6-7,12-13,21H,4-5H2,(H,22,25)(H,23,24)
InChIKeyDPSOFMOHOBTRDY-UHFFFAOYSA-N
MW360.78 g/mol
LogP1.89
Rot. Bonds2

About 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 89195382) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID89195382
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C1Nc2ccc(F)cc2CC1NC(=O)C1Cc2cc(Cl)ncc2N1
InChIInChI=1S/C17H14ClFN4O2/c18-15-6-9-5-12(21-14(9)7-20-15)16(24)23-13-4-8-3-10(19)1-2-11(8)22-17(13)25/h1-3,6-7,12-13,21H,4-5H2,(H,22,25)(H,23,24)
InChIKeyDPSOFMOHOBTRDY-UHFFFAOYSA-N
XLogP1.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 89195382) is 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C1Nc2ccc(F)cc2CC1NC(=O)C1Cc2cc(Cl)ncc2N1.
What is the InChIKey of 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DPSOFMOHOBTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c18-15-6-9-5-12(21-14(9)7-20-15)16(24)23-13-4-8-3-10(19)1-2-11(8)22-17(13)25/h1-3,6-7,12-13,21H,4-5H2,(H,22,25)(H,23,24).
What are the key properties of 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 360.78 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 89195382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).