3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide

C24H23N5O2 — CID 118728171

IUPAC3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide
SMILESO=C(CCNCCC(=O)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1
InChIInChI=1S/C24H23N5O2/c30-23(28-21-11-9-17-5-1-3-7-19(17)26-21)13-15-25-16-14-24(31)29-22-12-10-18-6-2-4-8-20(18)27-22/h1-12,25H,13-16H2,(H,26,28,30)(H,27,29,31)
InChIKeyVRZBCBPSMUDQQS-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.73
Rot. Bonds8

About 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide

3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide (PubChem CID 118728171) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide
PubChem CID118728171
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide
SMILESO=C(CCNCCC(=O)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1
InChIInChI=1S/C24H23N5O2/c30-23(28-21-11-9-17-5-1-3-7-19(17)26-21)13-15-25-16-14-24(31)29-22-12-10-18-6-2-4-8-20(18)27-22/h1-12,25H,13-16H2,(H,26,28,30)(H,27,29,31)
InChIKeyVRZBCBPSMUDQQS-UHFFFAOYSA-N
XLogP3.73
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide?
The IUPAC name of 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide (CID 118728171) is 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide?
The canonical SMILES for 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide is O=C(CCNCCC(=O)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1.
What is the InChIKey of 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide?
The InChIKey is VRZBCBPSMUDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-23(28-21-11-9-17-5-1-3-7-19(17)26-21)13-15-25-16-14-24(31)29-22-12-10-18-6-2-4-8-20(18)27-22/h1-12,25H,13-16H2,(H,26,28,30)(H,27,29,31).
What are the key properties of 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide?
3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide has a molecular weight of 413.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-oxo-3-(quinolin-2-ylamino)propyl]amino]-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 118728171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).