N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane

C33H34F2N8O5 — CID 170712275

IUPACN-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
SMILESCC.CC(C)(Cc1cc2ccc(NC(=O)C3CC(F)(F)CN3C(=O)CNC(=O)c3ccnc4ccccc34)cc2oc1=O)n1ncnn1
InChIInChI=1S/C31H28F2N8O5.C2H6/c1-30(2,41-37-17-36-39-41)13-19-11-18-7-8-20(12-25(18)46-29(19)45)38-28(44)24-14-31(32,33)16-40(24)26(42)15-35-27(43)22-9-10-34-23-6-4-3-5-21(22)23;1-2/h3-12,17,24H,13-16H2,1-2H3,(H,35,43)(H,38,44);1-2H3
InChIKeyWQQFAYNTNIJGOM-UHFFFAOYSA-N
MW660.68 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane

N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane (PubChem CID 170712275) has the molecular formula C33H34F2N8O5 and a molecular weight of 660.68 g/mol. Its IUPAC name is N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
PubChem CID170712275
Molecular FormulaC33H34F2N8O5
Molecular Weight660.68 g/mol
Exact Mass660.26
IUPAC NameN-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
SMILESCC.CC(C)(Cc1cc2ccc(NC(=O)C3CC(F)(F)CN3C(=O)CNC(=O)c3ccnc4ccccc34)cc2oc1=O)n1ncnn1
InChIInChI=1S/C31H28F2N8O5.C2H6/c1-30(2,41-37-17-36-39-41)13-19-11-18-7-8-20(12-25(18)46-29(19)45)38-28(44)24-14-31(32,33)16-40(24)26(42)15-35-27(43)22-9-10-34-23-6-4-3-5-21(22)23;1-2/h3-12,17,24H,13-16H2,1-2H3,(H,35,43)(H,38,44);1-2H3
InChIKeyWQQFAYNTNIJGOM-UHFFFAOYSA-N
XLogP3.94
TPSA165.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The IUPAC name of N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane (CID 170712275) is N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane.
What is the SMILES notation for N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The canonical SMILES for N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane is CC.CC(C)(Cc1cc2ccc(NC(=O)C3CC(F)(F)CN3C(=O)CNC(=O)c3ccnc4ccccc34)cc2oc1=O)n1ncnn1.
What is the InChIKey of N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The InChIKey is WQQFAYNTNIJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N8O5.C2H6/c1-30(2,41-37-17-36-39-41)13-19-11-18-7-8-20(12-25(18)46-29(19)45)38-28(44)24-14-31(32,33)16-40(24)26(42)15-35-27(43)22-9-10-34-23-6-4-3-5-21(22)23;1-2/h3-12,17,24H,13-16H2,1-2H3,(H,35,43)(H,38,44);1-2H3.
What are the key properties of N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane has a molecular weight of 660.68 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,4-difluoro-2-[[3-[2-methyl-2-(tetrazol-2-yl)propyl]-2-oxochromen-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane is sourced from PubChem (CID 170712275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).