N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide

C20H26N4O2 — CID 4903104

IUPACN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
SMILESCCCCn1nc(NC(=O)CCOC(C)C)c2cc3ccccc3nc21
InChIInChI=1S/C20H26N4O2/c1-4-5-11-24-20-16(13-15-8-6-7-9-17(15)21-20)19(23-24)22-18(25)10-12-26-14(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,23,25)
InChIKeyIEARBXGKYRXACO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.14
Rot. Bonds8

About N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide

N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide (PubChem CID 4903104) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
PubChem CID4903104
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
SMILESCCCCn1nc(NC(=O)CCOC(C)C)c2cc3ccccc3nc21
InChIInChI=1S/C20H26N4O2/c1-4-5-11-24-20-16(13-15-8-6-7-9-17(15)21-20)19(23-24)22-18(25)10-12-26-14(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,23,25)
InChIKeyIEARBXGKYRXACO-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide (CID 4903104) is N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide is CCCCn1nc(NC(=O)CCOC(C)C)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide?
The InChIKey is IEARBXGKYRXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-5-11-24-20-16(13-15-8-6-7-9-17(15)21-20)19(23-24)22-18(25)10-12-26-14(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,23,25).
What are the key properties of N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide?
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 4903104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).