2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide

C26H22ClN3O2 — CID 135113691

IUPAC2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C26H22ClN3O2/c27-20-7-5-18(6-8-20)24-14-22(21-3-1-2-4-23(21)29-24)26(31)30-25-16-32-15-19(25)13-17-9-11-28-12-10-17/h1-12,14,19,25H,13,15-16H2,(H,30,31)/t19-,25-/m1/s1
InChIKeySXVGYNGPJFPEJO-KBMIEXCESA-N
MW443.93 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide (PubChem CID 135113691) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
PubChem CID135113691
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C26H22ClN3O2/c27-20-7-5-18(6-8-20)24-14-22(21-3-1-2-4-23(21)29-24)26(31)30-25-16-32-15-19(25)13-17-9-11-28-12-10-17/h1-12,14,19,25H,13,15-16H2,(H,30,31)/t19-,25-/m1/s1
InChIKeySXVGYNGPJFPEJO-KBMIEXCESA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134710117
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 156585222
2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
CID 60610827
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72939169
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide (CID 135113691) is 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide?
The InChIKey is SXVGYNGPJFPEJO-KBMIEXCESA-N. The full InChI is InChI=1S/C26H22ClN3O2/c27-20-7-5-18(6-8-20)24-14-22(21-3-1-2-4-23(21)29-24)26(31)30-25-16-32-15-19(25)13-17-9-11-28-12-10-17/h1-12,14,19,25H,13,15-16H2,(H,30,31)/t19-,25-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 135113691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).