N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide

C24H28N4O4S — CID 121252772

IUPACN-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCOc1ncccc1S(=O)(=O)NC(=O)c1cc2ccc(C)cc2nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C24H28N4O4S/c1-15-8-9-17-12-18(21(26-19(17)11-15)28-14-16(2)13-24(28,3)4)22(29)27-33(30,31)20-7-6-10-25-23(20)32-5/h6-12,16H,13-14H2,1-5H3,(H,27,29)/t16-/m0/s1
InChIKeyCPIXMATYQAMHLP-INIZCTEOSA-N
MW468.58 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide

N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide (PubChem CID 121252772) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide
PubChem CID121252772
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCOc1ncccc1S(=O)(=O)NC(=O)c1cc2ccc(C)cc2nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C24H28N4O4S/c1-15-8-9-17-12-18(21(26-19(17)11-15)28-14-16(2)13-24(28,3)4)22(29)27-33(30,31)20-7-6-10-25-23(20)32-5/h6-12,16H,13-14H2,1-5H3,(H,27,29)/t16-/m0/s1
InChIKeyCPIXMATYQAMHLP-INIZCTEOSA-N
XLogP3.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide (CID 121252772) is N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide is COc1ncccc1S(=O)(=O)NC(=O)c1cc2ccc(C)cc2nc1N1C[C@@H](C)CC1(C)C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide?
The InChIKey is CPIXMATYQAMHLP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-8-9-17-12-18(21(26-19(17)11-15)28-14-16(2)13-24(28,3)4)22(29)27-33(30,31)20-7-6-10-25-23(20)32-5/h6-12,16H,13-14H2,1-5H3,(H,27,29)/t16-/m0/s1.
What are the key properties of N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide?
N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 121252772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).