7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

C29H34N6O4 — CID 136619068

IUPAC7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C29H34N6O4/c1-3-19-15-25-23(27-24(28(36)32-25)17-30-35(27)21-7-13-39-14-8-21)16-22(19)29(37)34-11-9-33(10-12-34)18-20-5-4-6-26(31-20)38-2/h4-6,15-17,21H,3,7-14,18H2,1-2H3,(H,32,36)
InChIKeySAIGHPQFXYFHBQ-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.15
Rot. Bonds6

About 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136619068) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136619068
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Name7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C29H34N6O4/c1-3-19-15-25-23(27-24(28(36)32-25)17-30-35(27)21-7-13-39-14-8-21)16-22(19)29(37)34-11-9-33(10-12-34)18-20-5-4-6-26(31-20)38-2/h4-6,15-17,21H,3,7-14,18H2,1-2H3,(H,32,36)
InChIKeySAIGHPQFXYFHBQ-UHFFFAOYSA-N
XLogP3.15
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136619068) is 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is CCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCN(Cc2cccc(OC)n2)CC1.
What is the InChIKey of 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is SAIGHPQFXYFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-3-19-15-25-23(27-24(28(36)32-25)17-30-35(27)21-7-13-39-14-8-21)16-22(19)29(37)34-11-9-33(10-12-34)18-20-5-4-6-26(31-20)38-2/h4-6,15-17,21H,3,7-14,18H2,1-2H3,(H,32,36).
What are the key properties of 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one?
7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 530.63 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-[4-[(6-methoxy-2-pyridinyl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136619068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).