N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide

C28H29N7O2 — CID 118101807

IUPACN-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)CC1
InChIInChI=1S/C28H29N7O2/c1-17(36)32-21-6-8-22(9-7-21)35-27-23-12-18(4-11-25(23)30-15-26(27)34(3)28(35)37)19-5-10-24(29-13-19)20-14-31-33(2)16-20/h4-5,10-16,21-22H,6-9H2,1-3H3,(H,32,36)
InChIKeyAQXKYGUPFRNYIE-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.97
Rot. Bonds4

About N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide

N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide (PubChem CID 118101807) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide
PubChem CID118101807
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC NameN-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)CC1
InChIInChI=1S/C28H29N7O2/c1-17(36)32-21-6-8-22(9-7-21)35-27-23-12-18(4-11-25(23)30-15-26(27)34(3)28(35)37)19-5-10-24(29-13-19)20-14-31-33(2)16-20/h4-5,10-16,21-22H,6-9H2,1-3H3,(H,32,36)
InChIKeyAQXKYGUPFRNYIE-UHFFFAOYSA-N
XLogP3.97
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide (CID 118101807) is N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)CC1.
What is the InChIKey of N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide?
The InChIKey is AQXKYGUPFRNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-17(36)32-21-6-8-22(9-7-21)35-27-23-12-18(4-11-25(23)30-15-26(27)34(3)28(35)37)19-5-10-24(29-13-19)20-14-31-33(2)16-20/h4-5,10-16,21-22H,6-9H2,1-3H3,(H,32,36).
What are the key properties of N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide?
N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide has a molecular weight of 495.59 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 118101807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).