1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile

C22H23N5O2 — CID 170389076

IUPAC1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c([C@@H]3CC(=O)N(C)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23N5O2/c1-13-7-16(5-6-29-13)27-21-17-8-14(10-23)3-4-18(17)24-11-19(21)25-22(27)15-9-20(28)26(2)12-15/h3-4,8,11,13,15-16H,5-7,9,12H2,1-2H3/t13-,15-,16?/m1/s1
InChIKeySPKXDZFGJISCEW-CWSLVUQWSA-N
MW389.46 g/mol
LogP3.14
Rot. Bonds2

About 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile

1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 170389076) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID170389076
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1CC(n2c([C@@H]3CC(=O)N(C)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23N5O2/c1-13-7-16(5-6-29-13)27-21-17-8-14(10-23)3-4-18(17)24-11-19(21)25-22(27)15-9-20(28)26(2)12-15/h3-4,8,11,13,15-16H,5-7,9,12H2,1-2H3/t13-,15-,16?/m1/s1
InChIKeySPKXDZFGJISCEW-CWSLVUQWSA-N
XLogP3.14
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 162679702
2-hydrazinyl-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652177
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
CID 170337555
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-pyrimidin-5-ylacetamide
CID 176873088
2-[8-cyano-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 170583039
2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423684
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 170389436
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(4-methyl-3-pyridinyl)acetamide
CID 176873118
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
CID 176873246
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetamide
CID 176873015

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 170389076) is 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1CC(n2c([C@@H]3CC(=O)N(C)C3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is SPKXDZFGJISCEW-CWSLVUQWSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-7-16(5-6-29-13)27-21-17-8-14(10-23)3-4-18(17)24-11-19(21)25-22(27)15-9-20(28)26(2)12-15/h3-4,8,11,13,15-16H,5-7,9,12H2,1-2H3/t13-,15-,16?/m1/s1.
What are the key properties of 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 170389076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).