[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone

C23H25N5O4 — CID 22294025

IUPAC[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)C4=C3CCCC4)nc(N)c2cc1OC
InChIInChI=1S/C23H25N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
InChIKeyQBNWIXNJGYZFRD-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.57
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone (PubChem CID 22294025) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
PubChem CID22294025
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)C4=C3CCCC4)nc(N)c2cc1OC
InChIInChI=1S/C23H25N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
InChIKeyQBNWIXNJGYZFRD-UHFFFAOYSA-N
XLogP3.57
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]furan-2-carbaldehyde
CID 20977513
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 46782778
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 171713803
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6200102
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one;hydrochloride
CID 13100443
N-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]cyclohexyl]-N-methylfuran-2-carboxamide
CID 46878170
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3-tetradeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 159765849
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44523465
[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 174473246
benzyl N-[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-oxopropyl]carbamate;hydrochloride
CID 67630058
1-[(4aS,8aR)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-naphthalen-2-ylethanone
CID 10391653

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone (CID 22294025) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone is COc1cc2nc(N3CCN(C(=O)c4ccco4)C4=C3CCCC4)nc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QBNWIXNJGYZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone?
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone has a molecular weight of 435.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,5,6,7,8-hexahydroquinoxalin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 22294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).