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

C22H18ClN5O2 — CID 135980577

IUPAC6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(Cc1ccncc1)N1CCc2nc(-c3cc4cc(Cl)ccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H18ClN5O2/c23-15-1-2-17-14(10-15)11-16(22(30)27-17)21-25-18-5-8-28(12-19(18)26-21)20(29)9-13-3-6-24-7-4-13/h1-4,6-7,10-11H,5,8-9,12H2,(H,25,26)(H,27,30)
InChIKeyNMRHMZMYGUDRJD-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.09
Rot. Bonds3

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

6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980577) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980577
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC Name6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(Cc1ccncc1)N1CCc2nc(-c3cc4cc(Cl)ccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C22H18ClN5O2/c23-15-1-2-17-14(10-15)11-16(22(30)27-17)21-25-18-5-8-28(12-19(18)26-21)20(29)9-13-3-6-24-7-4-13/h1-4,6-7,10-11H,5,8-9,12H2,(H,25,26)(H,27,30)
InChIKeyNMRHMZMYGUDRJD-UHFFFAOYSA-N
XLogP3.09
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980577) is 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is O=C(Cc1ccncc1)N1CCc2nc(-c3cc4cc(Cl)ccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is NMRHMZMYGUDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c23-15-1-2-17-14(10-15)11-16(22(30)27-17)21-25-18-5-8-28(12-19(18)26-21)20(29)9-13-3-6-24-7-4-13/h1-4,6-7,10-11H,5,8-9,12H2,(H,25,26)(H,27,30).
What are the key properties of 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 419.87 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(2-pyridin-4-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).