4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide

C27H31N7O3 — CID 163286364

IUPAC4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(C3CCOCC3)c(=O)n5C)cn2)CC1
InChIInChI=1S/C27H31N7O3/c1-31-9-11-33(12-10-31)26(35)30-24-6-4-19(16-29-24)18-3-5-22-21(15-18)25-23(17-28-22)32(2)27(36)34(25)20-7-13-37-14-8-20/h3-6,15-17,20H,7-14H2,1-2H3,(H,29,30,35)
InChIKeyCHIVVHFCDIOXIN-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide

4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 163286364) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID163286364
Molecular FormulaC27H31N7O3
Molecular Weight501.59 g/mol
Exact Mass501.25
IUPAC Name4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(C3CCOCC3)c(=O)n5C)cn2)CC1
InChIInChI=1S/C27H31N7O3/c1-31-9-11-33(12-10-31)26(35)30-24-6-4-19(16-29-24)18-3-5-22-21(15-18)25-23(17-28-22)32(2)27(36)34(25)20-7-13-37-14-8-20/h3-6,15-17,20H,7-14H2,1-2H3,(H,29,30,35)
InChIKeyCHIVVHFCDIOXIN-UHFFFAOYSA-N
XLogP3.08
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide (CID 163286364) is 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(C3CCOCC3)c(=O)n5C)cn2)CC1.
What is the InChIKey of 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is CHIVVHFCDIOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-31-9-11-33(12-10-31)26(35)30-24-6-4-19(16-29-24)18-3-5-22-21(15-18)25-23(17-28-22)32(2)27(36)34(25)20-7-13-37-14-8-20/h3-6,15-17,20H,7-14H2,1-2H3,(H,29,30,35).
What are the key properties of 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide?
4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 163286364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).