1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one

C21H20N6O2 — CID 140964045

IUPAC1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
SMILESNc1nc2cc(-c3ccc(CO)nc3)ccc2c2nc(CN3CCCC3=O)[nH]c12
InChIInChI=1S/C21H20N6O2/c22-21-20-19(25-17(26-20)10-27-7-1-2-18(27)29)15-6-4-12(8-16(15)24-21)13-3-5-14(11-28)23-9-13/h3-6,8-9,28H,1-2,7,10-11H2,(H2,22,24)(H,25,26)
InChIKeySUOMODLAHCPNQC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.37
Rot. Bonds4

About 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one

1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 140964045) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
PubChem CID140964045
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
SMILESNc1nc2cc(-c3ccc(CO)nc3)ccc2c2nc(CN3CCCC3=O)[nH]c12
InChIInChI=1S/C21H20N6O2/c22-21-20-19(25-17(26-20)10-27-7-1-2-18(27)29)15-6-4-12(8-16(15)24-21)13-3-5-14(11-28)23-9-13/h3-6,8-9,28H,1-2,7,10-11H2,(H2,22,24)(H,25,26)
InChIKeySUOMODLAHCPNQC-UHFFFAOYSA-N
XLogP2.37
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 160902821
3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584372
1-[[5-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
CID 151000809
[4-(4-amino-3H-imidazo[4,5-c]quinolin-7-yl)phenyl]methanol
CID 175755127
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
1-[[5-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
CID 150865528
1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
CID 79251120
1-[3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropyl]pyrrolidin-2-one
CID 137417810
3-[4-amino-7-(6-methoxy-2-pyridinyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607513
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
CID 129188276
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
CID 135307726
1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one
CID 66700243

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one (CID 140964045) is 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one is Nc1nc2cc(-c3ccc(CO)nc3)ccc2c2nc(CN3CCCC3=O)[nH]c12.
What is the InChIKey of 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is SUOMODLAHCPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-21-20-19(25-17(26-20)10-27-7-1-2-18(27)29)15-6-4-12(8-16(15)24-21)13-3-5-14(11-28)23-9-13/h3-6,8-9,28H,1-2,7,10-11H2,(H2,22,24)(H,25,26).
What are the key properties of 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 388.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 140964045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).