1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea

C26H31N7O3 — CID 163286323

IUPAC1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C26H31N7O3/c1-31(2)11-10-27-25(34)30-23-7-5-18(15-29-23)17-4-6-21-20(14-17)24-22(16-28-21)32(3)26(35)33(24)19-8-12-36-13-9-19/h4-7,14-16,19H,8-13H2,1-3H3,(H2,27,29,30,34)
InChIKeyCDDXEJNRKQHBMI-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea

1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea (PubChem CID 163286323) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea
PubChem CID163286323
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C26H31N7O3/c1-31(2)11-10-27-25(34)30-23-7-5-18(15-29-23)17-4-6-21-20(14-17)24-22(16-28-21)32(3)26(35)33(24)19-8-12-36-13-9-19/h4-7,14-16,19H,8-13H2,1-3H3,(H2,27,29,30,34)
InChIKeyCDDXEJNRKQHBMI-UHFFFAOYSA-N
XLogP2.98
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea (CID 163286323) is 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea is CN(C)CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea?
The InChIKey is CDDXEJNRKQHBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-31(2)11-10-27-25(34)30-23-7-5-18(15-29-23)17-4-6-21-20(14-17)24-22(16-28-21)32(3)26(35)33(24)19-8-12-36-13-9-19/h4-7,14-16,19H,8-13H2,1-3H3,(H2,27,29,30,34).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea?
1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea has a molecular weight of 489.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]urea is sourced from PubChem (CID 163286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).