1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide

C24H27N5O2 — CID 175769376

IUPAC1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide
SMILESNN1CCCC1C(=O)NCCC(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H27N5O2/c25-29-14-6-11-22(29)24(31)26-13-12-20(17-7-2-1-3-8-17)23(30)28-19-15-18-9-4-5-10-21(18)27-16-19/h1-5,7-10,15-16,20,22H,6,11-14,25H2,(H,26,31)(H,28,30)
InChIKeyLIUZQYXKPCGGEV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.80
Rot. Bonds7

About 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide

1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide (PubChem CID 175769376) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide
PubChem CID175769376
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide
SMILESNN1CCCC1C(=O)NCCC(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H27N5O2/c25-29-14-6-11-22(29)24(31)26-13-12-20(17-7-2-1-3-8-17)23(30)28-19-15-18-9-4-5-10-21(18)27-16-19/h1-5,7-10,15-16,20,22H,6,11-14,25H2,(H,26,31)(H,28,30)
InChIKeyLIUZQYXKPCGGEV-UHFFFAOYSA-N
XLogP2.80
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide (CID 175769376) is 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide is NN1CCCC1C(=O)NCCC(C(=O)Nc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide?
The InChIKey is LIUZQYXKPCGGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-29-14-6-11-22(29)24(31)26-13-12-20(17-7-2-1-3-8-17)23(30)28-19-15-18-9-4-5-10-21(18)27-16-19/h1-5,7-10,15-16,20,22H,6,11-14,25H2,(H,26,31)(H,28,30).
What are the key properties of 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide?
1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175769376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).