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

C28H34N6O3 — CID 163286357

IUPAC4-(dimethylamino)-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(C)C)CC5)cc4)cc3c21
InChIInChI=1S/C28H34N6O3/c1-31(2)22-11-13-33(14-12-22)27(35)30-21-8-5-19(6-9-21)20-7-10-24-23(17-20)26-25(18-29-24)32(3)28(36)34(26)15-16-37-4/h5-10,17-18,22H,11-16H2,1-4H3,(H,30,35)
InChIKeyBTQLLHOJUPVHCR-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.76
Rot. Bonds6

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

4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide (PubChem CID 163286357) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide
PubChem CID163286357
Molecular FormulaC28H34N6O3
Molecular Weight502.62 g/mol
Exact Mass502.27
IUPAC Name4-(dimethylamino)-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(C)C)CC5)cc4)cc3c21
InChIInChI=1S/C28H34N6O3/c1-31(2)22-11-13-33(14-12-22)27(35)30-21-8-5-19(6-9-21)20-7-10-24-23(17-20)26-25(18-29-24)32(3)28(36)34(26)15-16-37-4/h5-10,17-18,22H,11-16H2,1-4H3,(H,30,35)
InChIKeyBTQLLHOJUPVHCR-UHFFFAOYSA-N
XLogP3.76
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide (CID 163286357) is 4-(dimethylamino)-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-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-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(C)C)CC5)cc4)cc3c21.
What is the InChIKey of 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
The InChIKey is BTQLLHOJUPVHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-31(2)22-11-13-33(14-12-22)27(35)30-21-8-5-19(6-9-21)20-7-10-24-23(17-20)26-25(18-29-24)32(3)28(36)34(26)15-16-37-4/h5-10,17-18,22H,11-16H2,1-4H3,(H,30,35).
What are the key properties of 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide?
4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 163286357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).