5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide

C22H21F2N3O4 — CID 53307815

IUPAC5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc3c(F)ccc(F)c23)cn1
InChIInChI=1S/C22H21F2N3O4/c1-30-19-5-2-12(10-25-19)8-13-9-17(22(29)27-16-6-7-31-11-18(16)28)26-21-15(24)4-3-14(23)20(13)21/h2-5,9-10,16,18,28H,6-8,11H2,1H3,(H,27,29)/t16-,18-/m0/s1
InChIKeyPYNRWVVXGAQZDV-WMZOPIPTSA-N
MW429.42 g/mol
LogP2.39
Rot. Bonds5

About 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide

5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide (PubChem CID 53307815) has the molecular formula C22H21F2N3O4 and a molecular weight of 429.42 g/mol. Its IUPAC name is 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide
PubChem CID53307815
Molecular FormulaC22H21F2N3O4
Molecular Weight429.42 g/mol
Exact Mass429.15
IUPAC Name5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc3c(F)ccc(F)c23)cn1
InChIInChI=1S/C22H21F2N3O4/c1-30-19-5-2-12(10-25-19)8-13-9-17(22(29)27-16-6-7-31-11-18(16)28)26-21-15(24)4-3-14(23)20(13)21/h2-5,9-10,16,18,28H,6-8,11H2,1H3,(H,27,29)/t16-,18-/m0/s1
InChIKeyPYNRWVVXGAQZDV-WMZOPIPTSA-N
XLogP2.39
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 53307455
8-fluoro-N-(3-hydroxyoxan-4-yl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]quinoline-2-carboxamide
CID 67322650
8-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(2-oxo-1H-pyridin-4-yl)methyl]quinoline-2-carboxamide
CID 53307364
4-[[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54768007
(E)-1-[5-chloro-4-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-pyridinyl]-3-[(4S)-4-hydroxyoxan-3-yl]prop-2-en-1-one
CID 139380848
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 129017569
7-[(3-fluoro-4-propanoylphenyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 159519035
3-[fluoro-(6-methoxy-3-pyridinyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-8-methoxyquinoline-2-carboxamide
CID 151951268
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
tert-butyl 2-fluoro-4-[[5-[[(3R,4S)-3-hydroxyoxan-4-yl]carbamoyl]-2,3-dihydrofuro[3,2-b]pyridin-7-yl]methyl]benzoate
CID 142503745
4-[(3-fluorophenyl)methyl]-N-(3-hydroxyoxan-4-yl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 134306736
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54767685

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide?
The IUPAC name of 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide (CID 53307815) is 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide is COc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc3c(F)ccc(F)c23)cn1.
What is the InChIKey of 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide?
The InChIKey is PYNRWVVXGAQZDV-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H21F2N3O4/c1-30-19-5-2-12(10-25-19)8-13-9-17(22(29)27-16-6-7-31-11-18(16)28)26-21-15(24)4-3-14(23)20(13)21/h2-5,9-10,16,18,28H,6-8,11H2,1H3,(H,27,29)/t16-,18-/m0/s1.
What are the key properties of 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide?
5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 53307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).