1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C23H21FN6O4 — CID 134325541

IUPAC1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCCO)cc1F)c(=O)n3C
InChIInChI=1S/C23H21FN6O4/c1-28-12-13(9-27-28)15-7-16-18(8-20(15)33-3)25-11-19-21(16)30(23(32)29(19)2)22-17(24)6-14(10-26-22)34-5-4-31/h6-12,31H,4-5H2,1-3H3
InChIKeyHKNSCMJYXDNKIG-UHFFFAOYSA-N
MW464.46 g/mol
LogP2.19
Rot. Bonds6

About 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325541) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID134325541
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCCO)cc1F)c(=O)n3C
InChIInChI=1S/C23H21FN6O4/c1-28-12-13(9-27-28)15-7-16-18(8-20(15)33-3)25-11-19-21(16)30(23(32)29(19)2)22-17(24)6-14(10-26-22)34-5-4-31/h6-12,31H,4-5H2,1-3H3
InChIKeyHKNSCMJYXDNKIG-UHFFFAOYSA-N
XLogP2.19
TPSA109.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325541) is 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OCCO)cc1F)c(=O)n3C.
What is the InChIKey of 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is HKNSCMJYXDNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-28-12-13(9-27-28)15-7-16-18(8-20(15)33-3)25-11-19-21(16)30(23(32)29(19)2)22-17(24)6-14(10-26-22)34-5-4-31/h6-12,31H,4-5H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 464.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).