N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C18H20N6O — CID 90104507

IUPACN-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3cnn(C(C)(C)C)c3)c3[nH]ncc3c2c1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-10-11(8-20-24)21-17-16-14(9-19-23-16)13-7-12(25-4)5-6-15(13)22-17/h5-10H,1-4H3,(H,19,23)(H,21,22)
InChIKeyDBUQCSBCKKCGEE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.81
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90104507) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90104507
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3cnn(C(C)(C)C)c3)c3[nH]ncc3c2c1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-10-11(8-20-24)21-17-16-14(9-19-23-16)13-7-12(25-4)5-6-15(13)22-17/h5-10H,1-4H3,(H,19,23)(H,21,22)
InChIKeyDBUQCSBCKKCGEE-UHFFFAOYSA-N
XLogP3.81
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90104507) is N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3cnn(C(C)(C)C)c3)c3[nH]ncc3c2c1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is DBUQCSBCKKCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2,3)24-10-11(8-20-24)21-17-16-14(9-19-23-16)13-7-12(25-4)5-6-15(13)22-17/h5-10H,1-4H3,(H,19,23)(H,21,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90104507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).