2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide

C17H24N4O3 — CID 125463812

IUPAC2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(CN(CCO)CCO)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C17H24N4O3/c22-11-9-21(10-12-23)13-17(24)19-8-7-18-16-6-5-14-3-1-2-4-15(14)20-16/h1-6,22-23H,7-13H2,(H,18,20)(H,19,24)
InChIKeyICFOITCSWSBORC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.05
Rot. Bonds10

About 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide

2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide (PubChem CID 125463812) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
PubChem CID125463812
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
SMILESO=C(CN(CCO)CCO)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C17H24N4O3/c22-11-9-21(10-12-23)13-17(24)19-8-7-18-16-6-5-14-3-1-2-4-15(14)20-16/h1-6,22-23H,7-13H2,(H,18,20)(H,19,24)
InChIKeyICFOITCSWSBORC-UHFFFAOYSA-N
XLogP0.05
TPSA97.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
2-(1H-indazol-6-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 154837239
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 122142659
5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 126840990
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
CID 47092532

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide (CID 125463812) is 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide is O=C(CN(CCO)CCO)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
The InChIKey is ICFOITCSWSBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-11-9-21(10-12-23)13-17(24)19-8-7-18-16-6-5-14-3-1-2-4-15(14)20-16/h1-6,22-23H,7-13H2,(H,18,20)(H,19,24).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide?
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.05, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 125463812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).