N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide

C20H20N4O2 — CID 97427664

IUPACN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)C1
InChIInChI=1S/C20H20N4O2/c1-26-17-8-11-24(13-17)16-5-3-15(4-6-16)23-20(25)14-2-7-18-19(12-14)22-10-9-21-18/h2-7,9-10,12,17H,8,11,13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyQRWPCQUPAJTEQH-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.11
Rot. Bonds4

About N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide

N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide (PubChem CID 97427664) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
PubChem CID97427664
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
SMILESCO[C@H]1CCN(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)C1
InChIInChI=1S/C20H20N4O2/c1-26-17-8-11-24(13-17)16-5-3-15(4-6-16)23-20(25)14-2-7-18-19(12-14)22-10-9-21-18/h2-7,9-10,12,17H,8,11,13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyQRWPCQUPAJTEQH-KRWDZBQOSA-N
XLogP3.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide (CID 97427664) is N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide is CO[C@H]1CCN(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)C1.
What is the InChIKey of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide?
The InChIKey is QRWPCQUPAJTEQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-8-11-24(13-17)16-5-3-15(4-6-16)23-20(25)14-2-7-18-19(12-14)22-10-9-21-18/h2-7,9-10,12,17H,8,11,13H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide?
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 97427664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).