3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one

C20H18N4OS — CID 95221184

IUPAC3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCc2[nH]cnc2[C@H]1c1cccs1
InChIInChI=1S/C20H18N4OS/c25-20-14(10-13-4-1-2-5-15(13)23-20)11-24-8-7-16-18(22-12-21-16)19(24)17-6-3-9-26-17/h1-6,9-10,12,19H,7-8,11H2,(H,21,22)(H,23,25)/t19-/m1/s1
InChIKeyUVOIKEFYODFYSU-LJQANCHMSA-N
MW362.46 g/mol
LogP3.46
Rot. Bonds3

About 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one

3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 95221184) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
PubChem CID95221184
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCc2[nH]cnc2[C@H]1c1cccs1
InChIInChI=1S/C20H18N4OS/c25-20-14(10-13-4-1-2-5-15(13)23-20)11-24-8-7-16-18(22-12-21-16)19(24)17-6-3-9-26-17/h1-6,9-10,12,19H,7-8,11H2,(H,21,22)(H,23,25)/t19-/m1/s1
InChIKeyUVOIKEFYODFYSU-LJQANCHMSA-N
XLogP3.46
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one (CID 95221184) is 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CN1CCc2[nH]cnc2[C@H]1c1cccs1.
What is the InChIKey of 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is UVOIKEFYODFYSU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-20-14(10-13-4-1-2-5-15(13)23-20)11-24-8-7-16-18(22-12-21-16)19(24)17-6-3-9-26-17/h1-6,9-10,12,19H,7-8,11H2,(H,21,22)(H,23,25)/t19-/m1/s1.
What are the key properties of 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one?
3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 362.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-thiophen-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95221184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).