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

C27H32N6O3 — CID 163286314

IUPAC4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(CCOC)c(=O)n5C)cc2)CC1
InChIInChI=1S/C27H32N6O3/c1-4-31-11-13-32(14-12-31)26(34)29-21-8-5-19(6-9-21)20-7-10-23-22(17-20)25-24(18-28-23)30(2)27(35)33(25)15-16-36-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,34)
InChIKeyGBCMYEPFEONXTP-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.37
Rot. Bonds6

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

4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide (PubChem CID 163286314) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide
PubChem CID163286314
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(CCOC)c(=O)n5C)cc2)CC1
InChIInChI=1S/C27H32N6O3/c1-4-31-11-13-32(14-12-31)26(34)29-21-8-5-19(6-9-21)20-7-10-23-22(17-20)25-24(18-28-23)30(2)27(35)33(25)15-16-36-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,34)
InChIKeyGBCMYEPFEONXTP-UHFFFAOYSA-N
XLogP3.37
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

Dactolisib
CID 11977753
Samotolisib
CID 57519748
N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea
CID 10248092
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
CID 163286312
ATM Inhibitor-2
CID 163286323
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 163286325
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide (CID 163286314) is 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(-c3ccc4ncc5c(c4c3)n(CCOC)c(=O)n5C)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide?
The InChIKey is GBCMYEPFEONXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-4-31-11-13-32(14-12-31)26(34)29-21-8-5-19(6-9-21)20-7-10-23-22(17-20)25-24(18-28-23)30(2)27(35)33(25)15-16-36-3/h5-10,17-18H,4,11-16H2,1-3H3,(H,29,34).
What are the key properties of 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide?
4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 163286314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).