[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

C26H27N5O4 — CID 44523465

IUPAC[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H27N5O4/c1-33-22-15-19-20(16-23(22)34-2)28-26(29-24(19)27-17-18-7-4-3-5-8-18)31-12-10-30(11-13-31)25(32)21-9-6-14-35-21/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,28,29)
InChIKeyWMWNZZDWZWBEDL-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.81
Rot. Bonds7

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

[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 44523465) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID44523465
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H27N5O4/c1-33-22-15-19-20(16-23(22)34-2)28-26(29-24(19)27-17-18-7-4-3-5-8-18)31-12-10-30(11-13-31)25(32)21-9-6-14-35-21/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,28,29)
InChIKeyWMWNZZDWZWBEDL-UHFFFAOYSA-N
XLogP3.81
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6200102
[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
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 11774935
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 13053562
benzyl N-[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-oxopropyl]carbamate;hydrochloride
CID 67630058
[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 174473246
(7R)-4-(ethylamino)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160167

Frequently Asked Questions

What is the IUPAC name of [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 44523465) is [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(NCc3ccccc3)c2cc1OC.
What is the InChIKey of [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WMWNZZDWZWBEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-33-22-15-19-20(16-23(22)34-2)28-26(29-24(19)27-17-18-7-4-3-5-8-18)31-12-10-30(11-13-31)25(32)21-9-6-14-35-21/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,28,29).
What are the key properties of [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 473.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 44523465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).