8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

C22H25N5O3 — CID 118502493

IUPAC8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnn(CCCO)c4)ccc3ncc21
InChIInChI=1S/C22H25N5O3/c1-25-20-13-23-19-4-3-15(16-12-24-26(14-16)7-2-8-28)11-18(19)21(20)27(22(25)29)17-5-9-30-10-6-17/h3-4,11-14,17,28H,2,5-10H2,1H3
InChIKeyVJZDCKGIOGXFJF-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.49
Rot. Bonds5

About 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one

8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118502493) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID118502493
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnn(CCCO)c4)ccc3ncc21
InChIInChI=1S/C22H25N5O3/c1-25-20-13-23-19-4-3-15(16-12-24-26(14-16)7-2-8-28)11-18(19)21(20)27(22(25)29)17-5-9-30-10-6-17/h3-4,11-14,17,28H,2,5-10H2,1H3
InChIKeyVJZDCKGIOGXFJF-UHFFFAOYSA-N
XLogP2.49
TPSA87.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one (CID 118502493) is 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnn(CCCO)c4)ccc3ncc21.
What is the InChIKey of 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is VJZDCKGIOGXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-20-13-23-19-4-3-15(16-12-24-26(14-16)7-2-8-28)11-18(19)21(20)27(22(25)29)17-5-9-30-10-6-17/h3-4,11-14,17,28H,2,5-10H2,1H3.
What are the key properties of 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one?
8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-hydroxypropyl)pyrazol-4-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).