5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C25H19ClFN5O3 — CID 10311192

IUPAC5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccc(F)nc1
InChIInChI=1S/C25H19ClFN5O3/c26-16-5-7-18-15(9-16)11-19(30-18)24(34)31-20-10-14-3-1-2-4-21(14)32(25(20)35)13-23(33)29-17-6-8-22(27)28-12-17/h1-9,11-12,20,30H,10,13H2,(H,29,33)(H,31,34)
InChIKeyRSWIYUFZFJVSSU-UHFFFAOYSA-N
MW491.91 g/mol
LogP3.68
Rot. Bonds5

About 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10311192) has the molecular formula C25H19ClFN5O3 and a molecular weight of 491.91 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10311192
Molecular FormulaC25H19ClFN5O3
Molecular Weight491.91 g/mol
Exact Mass491.12
IUPAC Name5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccc(F)nc1
InChIInChI=1S/C25H19ClFN5O3/c26-16-5-7-18-15(9-16)11-19(30-18)24(34)31-20-10-14-3-1-2-4-21(14)32(25(20)35)13-23(33)29-17-6-8-22(27)28-12-17/h1-9,11-12,20,30H,10,13H2,(H,29,33)(H,31,34)
InChIKeyRSWIYUFZFJVSSU-UHFFFAOYSA-N
XLogP3.68
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 53.68
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-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10311192) is 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccc(F)nc1.
What is the InChIKey of 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is RSWIYUFZFJVSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O3/c26-16-5-7-18-15(9-16)11-19(30-18)24(34)31-20-10-14-3-1-2-4-21(14)32(25(20)35)13-23(33)29-17-6-8-22(27)28-12-17/h1-9,11-12,20,30H,10,13H2,(H,29,33)(H,31,34).
What are the key properties of 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 491.91 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-[(6-fluoro-3-pyridinyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10311192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).