N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

C25H28N4O4 — CID 168876970

IUPACN-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC4COC4)c4c(n3)C3(CCC4)CCOC3)c[nH]c2cn1
InChIInChI=1S/C25H28N4O4/c1-15(30)28-23-7-18-19(9-26-21(18)10-27-23)20-8-22(33-13-16-11-32-12-16)17-3-2-4-25(24(17)29-20)5-6-31-14-25/h7-10,16,26H,2-6,11-14H2,1H3,(H,27,28,30)
InChIKeyUHOOLPQNBBASRJ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.60
Rot. Bonds5

About N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 168876970) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID168876970
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc(OCC4COC4)c4c(n3)C3(CCC4)CCOC3)c[nH]c2cn1
InChIInChI=1S/C25H28N4O4/c1-15(30)28-23-7-18-19(9-26-21(18)10-27-23)20-8-22(33-13-16-11-32-12-16)17-3-2-4-25(24(17)29-20)5-6-31-14-25/h7-10,16,26H,2-6,11-14H2,1H3,(H,27,28,30)
InChIKeyUHOOLPQNBBASRJ-UHFFFAOYSA-N
XLogP3.60
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

N-[3-[4-[(3-cyanooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876994
2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
CID 168876932
N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876859
N-[3-[6-methylsulfanyl-4-(oxan-4-ylmethoxy)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694276
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464342
N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646
N-[4-amino-5-(oxetan-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731146
[3-[6-(3-methoxyoxolan-3-yl)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
CID 139464758
N-[3-[4-[2-(3-methoxyoxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011602
tert-butyl 5-acetamido-3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate;N-[3-[4-[(3S)-3-hydroxybutoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139485182

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 168876970) is N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc(OCC4COC4)c4c(n3)C3(CCC4)CCOC3)c[nH]c2cn1.
What is the InChIKey of N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is UHOOLPQNBBASRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(30)28-23-7-18-19(9-26-21(18)10-27-23)20-8-22(33-13-16-11-32-12-16)17-3-2-4-25(24(17)29-20)5-6-31-14-25/h7-10,16,26H,2-6,11-14H2,1H3,(H,27,28,30).
What are the key properties of N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 168876970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).