(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone

C21H26N4O2 — CID 6622846

IUPAC(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)n2nc(N)c3cc4ccc(OC)cc4nc32)CC1
InChIInChI=1S/C21H26N4O2/c1-3-4-13-5-7-14(8-6-13)21(26)25-20-17(19(22)24-25)11-15-9-10-16(27-2)12-18(15)23-20/h9-14H,3-8H2,1-2H3,(H2,22,24)
InChIKeyUIXHYDKMIKUYSW-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.42
Rot. Bonds4

About (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone

(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone (PubChem CID 6622846) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone
PubChem CID6622846
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)n2nc(N)c3cc4ccc(OC)cc4nc32)CC1
InChIInChI=1S/C21H26N4O2/c1-3-4-13-5-7-14(8-6-13)21(26)25-20-17(19(22)24-25)11-15-9-10-16(27-2)12-18(15)23-20/h9-14H,3-8H2,1-2H3,(H2,22,24)
InChIKeyUIXHYDKMIKUYSW-UHFFFAOYSA-N
XLogP4.42
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone?
The IUPAC name of (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone (CID 6622846) is (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone.
What is the SMILES notation for (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone?
The canonical SMILES for (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone is CCCC1CCC(C(=O)n2nc(N)c3cc4ccc(OC)cc4nc32)CC1.
What is the InChIKey of (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone?
The InChIKey is UIXHYDKMIKUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-4-13-5-7-14(8-6-13)21(26)25-20-17(19(22)24-25)11-15-9-10-16(27-2)12-18(15)23-20/h9-14H,3-8H2,1-2H3,(H2,22,24).
What are the key properties of (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone?
(3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone has a molecular weight of 366.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methoxypyrazolo[5,4-b]quinolin-1-yl)-(4-propylcyclohexyl)methanone is sourced from PubChem (CID 6622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).