N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide

C24H27N5O6 — CID 164622848

IUPACN-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C24H27N5O6/c30-20(28-10-12-35-13-11-28)14-27-24(34)22(32)19-6-3-9-29(19)21(31)15-26-23(33)17-7-8-25-18-5-2-1-4-16(17)18/h1-2,4-5,7-8,19H,3,6,9-15H2,(H,26,33)(H,27,34)/t19-/m0/s1
InChIKeyQSBCOULRKRCZJG-IBGZPJMESA-N
MW481.51 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide

N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 164622848) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
PubChem CID164622848
Molecular FormulaC24H27N5O6
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC NameN-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C24H27N5O6/c30-20(28-10-12-35-13-11-28)14-27-24(34)22(32)19-6-3-9-29(19)21(31)15-26-23(33)17-7-8-25-18-5-2-1-4-16(17)18/h1-2,4-5,7-8,19H,3,6,9-15H2,(H,26,33)(H,27,34)/t19-/m0/s1
InChIKeyQSBCOULRKRCZJG-IBGZPJMESA-N
XLogP-0.50
TPSA138.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide (CID 164622848) is N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide is O=C(NCC(=O)N1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is QSBCOULRKRCZJG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5O6/c30-20(28-10-12-35-13-11-28)14-27-24(34)22(32)19-6-3-9-29(19)21(31)15-26-23(33)17-7-8-25-18-5-2-1-4-16(17)18/h1-2,4-5,7-8,19H,3,6,9-15H2,(H,26,33)(H,27,34)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 164622848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).