7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one

C17H22N2O2 — CID 175845391

IUPAC7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCCC3)cc2[nH]1
InChIInChI=1S/C17H22N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-3-11-19-9-1-2-10-19/h5-8,13H,1-4,9-12H2,(H,18,20)
InChIKeyNHRNSTZYTVEFBL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.78
Rot. Bonds6

About 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one

7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one (PubChem CID 175845391) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
PubChem CID175845391
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCCC3)cc2[nH]1
InChIInChI=1S/C17H22N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-3-11-19-9-1-2-10-19/h5-8,13H,1-4,9-12H2,(H,18,20)
InChIKeyNHRNSTZYTVEFBL-UHFFFAOYSA-N
XLogP2.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
7-[4-[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 66633584
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 135231666
7-(5-methylhexoxy)-1H-quinolin-2-one
CID 137474488
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;sulfuric acid
CID 66885812
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
7-ethoxy-1H-quinolin-2-one
CID 123474288

Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one?
The IUPAC name of 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one (CID 175845391) is 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one is O=c1ccc2ccc(OCCCCN3CCCC3)cc2[nH]1.
What is the InChIKey of 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one?
The InChIKey is NHRNSTZYTVEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17-8-6-14-5-7-15(13-16(14)18-17)21-12-4-3-11-19-9-1-2-10-19/h5-8,13H,1-4,9-12H2,(H,18,20).
What are the key properties of 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one?
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one is sourced from PubChem (CID 175845391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).