2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide

C22H23N5O2 — CID 138033848

IUPAC2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCN(c1nc3ccccc3nc1N1CCOCC1)C2
InChIInChI=1S/C22H23N5O2/c23-20(28)17-5-3-4-15-14-27(9-8-16(15)17)22-21(26-10-12-29-13-11-26)24-18-6-1-2-7-19(18)25-22/h1-7H,8-14H2,(H2,23,28)
InChIKeyXRHJDEIPUARCJA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide

2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide (PubChem CID 138033848) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
PubChem CID138033848
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCN(c1nc3ccccc3nc1N1CCOCC1)C2
InChIInChI=1S/C22H23N5O2/c23-20(28)17-5-3-4-15-14-27(9-8-16(15)17)22-21(26-10-12-29-13-11-26)24-18-6-1-2-7-19(18)25-22/h1-7H,8-14H2,(H2,23,28)
InChIKeyXRHJDEIPUARCJA-UHFFFAOYSA-N
XLogP2.13
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide (CID 138033848) is 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide.
What is the SMILES notation for 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The canonical SMILES for 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide is NC(=O)c1cccc2c1CCN(c1nc3ccccc3nc1N1CCOCC1)C2.
What is the InChIKey of 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide?
The InChIKey is XRHJDEIPUARCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-20(28)17-5-3-4-15-14-27(9-8-16(15)17)22-21(26-10-12-29-13-11-26)24-18-6-1-2-7-19(18)25-22/h1-7H,8-14H2,(H2,23,28).
What are the key properties of 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide?
2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide is sourced from PubChem (CID 138033848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).