[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C20H22N4O4 — CID 14069003

IUPAC[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-10-13-14(21)11-19(22-15(13)12-18(17)27-2)23-5-7-24(8-6-23)20(25)16-4-3-9-28-16/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
InChIKeyGYAUHKHLMYZHEM-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.39
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 14069003) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID14069003
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-10-13-14(21)11-19(22-15(13)12-18(17)27-2)23-5-7-24(8-6-23)20(25)16-4-3-9-28-16/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
InChIKeyGYAUHKHLMYZHEM-UHFFFAOYSA-N
XLogP2.39
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Alfuzosin
CID 2092
Prazosin
CID 4893
Doxazosin
CID 3157
Terazosin
CID 5401
Prazosin Hydrochloride
CID 68546
Alfuzosin Hydrochloride
CID 71764
Terazosin Hydrochloride Anhydrous
CID 44383
Terazosin Hydrochloride
CID 63016
Quinoxaline, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)decahydro-, (4aR,8aS)-rel-
CID 132266
1-(4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)-2-methoxy-1-propanone
CID 93514
Rec 15/2615
CID 9891980
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 14069003) is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)cc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GYAUHKHLMYZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-17-10-13-14(21)11-19(22-15(13)12-18(17)27-2)23-5-7-24(8-6-23)20(25)16-4-3-9-28-16/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 382.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 14069003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).