7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide

C24H27FN4O3 — CID 155547462

IUPAC7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(N[C@@H](C)C4CCOCC4)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C24H27FN4O3/c1-14(15-5-7-32-8-6-15)29-23-19-9-18(16-3-4-17(13-31-2)27-11-16)21(25)10-22(19)28-12-20(23)24(26)30/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,26,30)(H,28,29)/t14-/m0/s1
InChIKeySIYXNAMXTQQHCC-AWEZNQCLSA-N
MW438.50 g/mol
LogP3.91
Rot. Bonds7

About 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide

7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide (PubChem CID 155547462) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
PubChem CID155547462
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(N[C@@H](C)C4CCOCC4)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C24H27FN4O3/c1-14(15-5-7-32-8-6-15)29-23-19-9-18(16-3-4-17(13-31-2)27-11-16)21(25)10-22(19)28-12-20(23)24(26)30/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,26,30)(H,28,29)/t14-/m0/s1
InChIKeySIYXNAMXTQQHCC-AWEZNQCLSA-N
XLogP3.91
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide (CID 155547462) is 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide is COCc1ccc(-c2cc3c(N[C@@H](C)C4CCOCC4)c(C(N)=O)cnc3cc2F)cn1.
What is the InChIKey of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide?
The InChIKey is SIYXNAMXTQQHCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-14(15-5-7-32-8-6-15)29-23-19-9-18(16-3-4-17(13-31-2)27-11-16)21(25)10-22(19)28-12-20(23)24(26)30/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,26,30)(H,28,29)/t14-/m0/s1.
What are the key properties of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide?
7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 155547462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).