4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide

C26H30N6O3 — CID 163286295

IUPAC4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N)CC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-23-16-28-22-8-5-18(15-21(22)24(23)32(26(30)34)13-14-35-2)17-3-6-20(7-4-17)29-25(33)31-11-9-19(27)10-12-31/h3-8,15-16,19H,9-14,27H2,1-2H3,(H,29,33)
InChIKeyXJNWLGOKMSEIOT-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide

4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide (PubChem CID 163286295) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide
PubChem CID163286295
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide
SMILESCOCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N)CC5)cc4)cc3c21
InChIInChI=1S/C26H30N6O3/c1-30-23-16-28-22-8-5-18(15-21(22)24(23)32(26(30)34)13-14-35-2)17-3-6-20(7-4-17)29-25(33)31-11-9-19(27)10-12-31/h3-8,15-16,19H,9-14,27H2,1-2H3,(H,29,33)
InChIKeyXJNWLGOKMSEIOT-UHFFFAOYSA-N
XLogP3.16
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide (CID 163286295) is 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide is COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(NC(=O)N5CCC(N)CC5)cc4)cc3c21.
What is the InChIKey of 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The InChIKey is XJNWLGOKMSEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-30-23-16-28-22-8-5-18(15-21(22)24(23)32(26(30)34)13-14-35-2)17-3-6-20(7-4-17)29-25(33)31-11-9-19(27)10-12-31/h3-8,15-16,19H,9-14,27H2,1-2H3,(H,29,33).
What are the key properties of 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 163286295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).